 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer08_STD_wB97XD_augccpVDZ.in
 Output=12_L-valine_conformer08_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-37019.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     37020.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer08_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:07:56 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer08_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.412250000000     -0.293817000000     -0.659732000000
  C                                                 1.052491000000     -0.579308000000     -0.023478000000
  C                                                -0.027034000000      0.388733000000     -0.598813000000
  C                                                -1.390463000000     -0.046113000000     -0.106970000000
  O                                                -1.821402000000     -1.161736000000     -0.736457000000
  C                                                 1.133559000000     -0.529563000000      1.500987000000
  N                                                 0.135122000000      1.799703000000     -0.297606000000
  O                                                -2.020824000000      0.489404000000      0.767388000000
  H                                                -0.021936000000      0.253255000000     -1.684416000000
  H                                                 0.747954000000     -1.585935000000     -0.324216000000
  H                                                -2.672285000000     -1.401673000000     -0.337129000000
  H                                                -0.239600000000      2.012406000000      0.618715000000
  H                                                 1.104748000000      2.081912000000     -0.335804000000
  H                                                 1.429701000000      0.463432000000      1.845535000000
  H                                                 0.179505000000     -0.772294000000      1.970784000000
  H                                                 1.877624000000     -1.240196000000      1.864259000000
  H                                                 2.361305000000     -0.338696000000     -1.749450000000
  H                                                 2.788843000000      0.693074000000     -0.378253000000
  H                                                 3.151277000000     -1.024146000000     -0.326187000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:07:56 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528159   0.000000
     3  C    2.533711   1.559964   0.000000
     4  C    3.850653   2.501858   1.513255   0.000000
     5  O    4.322381   3.017751   2.375428   1.351509   0.000000
     6  C    2.521772   1.527429   2.568930   3.031491   3.759999
     7  N    3.114366   2.564450   1.451846   2.402247   3.576408
     8  O    4.722526   3.348564   2.419057   1.203593   2.242227
     9  H    2.697133   2.146222   1.094036   2.109697   2.477681
    10  H    2.133547   1.093839   2.139001   2.644064   2.636566
    11  H    5.213819   3.827351   3.204900   1.879783   0.970069
    12  H    3.739706   2.966293   2.040557   2.467510   3.796547
    13  H    2.731040   2.679994   2.053524   3.287390   4.386813
    14  H    2.795566   2.173201   2.846488   3.467742   4.458422
    15  H    3.483347   2.185504   2.827273   2.703553   3.388871
    16  H    2.748088   2.163601   3.513952   3.998996   4.522463
    17  H    1.091831   2.179419   2.749051   4.105984   4.381619
    18  H    1.093164   2.181683   2.840851   4.252833   4.982267
    19  H    1.091235   2.166660   3.488870   4.651022   4.991472
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.107619   0.000000
     8  O    3.395084   2.738467   0.000000
     9  H    3.477753   2.083125   3.172170   0.000000
    10  H    2.143823   3.440758   3.628328   2.413606   0.000000
    11  H    4.315518   4.258157   2.284848   3.402693   3.425223
    12  H    3.020857   1.012573   2.348275   2.906269   3.848693
    13  H    3.192872   1.010582   3.677270   2.536170   3.685178
    14  H    1.091995   2.838064   3.615135   3.822562   3.061454
    15  H    1.090801   3.429684   2.807399   3.801686   2.500434
    16  H    1.091146   4.117154   4.403696   4.293229   2.486989
    17  H    3.479818   3.411230   5.120867   2.456516   2.487931
    18  H    2.786817   2.876346   4.948421   3.130492   3.059743
    19  H    2.766652   4.131844   5.498852   3.680465   2.468111
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.299713   0.000000
    13  H    5.138224   1.650215   0.000000
    14  H    5.006888   2.586692   2.735564   0.000000
    15  H    3.722269   3.123827   3.784563   1.762299   0.000000
    16  H    5.057060   4.075958   4.058820   1.761628   1.764621
    17  H    5.334941   4.230909   3.071917   3.799370   4.334559
    18  H    5.849237   3.450514   2.183311   2.616340   3.804461
    19  H    5.835796   4.648821   3.719673   3.145328   3.764430
                   16         17         18         19
    16  H    0.000000
    17  H    3.755735   0.000000
    18  H    3.097856   1.768479   0.000000
    19  H    2.543015   1.766232   1.755823   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.83D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9403174           1.4385027           1.3450378
 Leave Link  202 at Thu Aug 12 22:07:57 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.6814012426 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0121619694 Hartrees.
 Nuclear repulsion after empirical dispersion term =      408.6692392732 Hartrees.
 Leave Link  301 at Thu Aug 12 22:07:59 2021, MaxMem=  5368709120 cpu:              17.1 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.20D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 22:08:00 2021, MaxMem=  5368709120 cpu:               3.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:08:00 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer08_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:08:00 2021, MaxMem=  5368709120 cpu:               3.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.307974769798    
 DIIS: error= 1.63D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.307974769798     IErMin= 1 ErrMin= 1.63D-03
 ErrMax= 1.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.59D-03 BMatP= 5.59D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.63D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.400 Goal=   None    Shift=    0.000
 GapD=    0.400 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.27D-02 MaxDP=8.91D-01              OVMax= 1.73D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.27D-02    CP:  1.03D+00
 E= -402.312792671403     Delta-E=       -0.004817901605 Rises=F Damp=F
 DIIS: error= 2.71D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.312792671403     IErMin= 2 ErrMin= 2.71D-04
 ErrMax= 2.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-04 BMatP= 5.59D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.71D-03
 Coeff-Com: -0.506D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.505D-01 0.105D+01
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.01D-03 MaxDP=1.87D-01 DE=-4.82D-03 OVMax= 5.92D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.05D-04    CP:  1.04D+00  1.14D+00
 E= -402.312928091857     Delta-E=       -0.000135420455 Rises=F Damp=F
 DIIS: error= 3.83D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.312928091857     IErMin= 2 ErrMin= 2.71D-04
 ErrMax= 3.83D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.16D-05 BMatP= 1.10D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.83D-03
 Coeff-Com: -0.422D-01 0.505D+00 0.537D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.420D-01 0.503D+00 0.539D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.55D-04 MaxDP=1.13D-02 DE=-1.35D-04 OVMax= 1.31D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.17D-05    CP:  1.04D+00  1.15D+00  1.09D+00
 E= -402.312986159000     Delta-E=       -0.000058067143 Rises=F Damp=F
 DIIS: error= 4.87D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.312986159000     IErMin= 4 ErrMin= 4.87D-05
 ErrMax= 4.87D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-06 BMatP= 8.16D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.348D-03-0.495D-01 0.819D-01 0.968D+00
 Coeff:     -0.348D-03-0.495D-01 0.819D-01 0.968D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.10D-04 MaxDP=6.67D-03 DE=-5.81D-05 OVMax= 1.15D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.58D-05    CP:  1.04D+00  1.16D+00  1.16D+00  1.43D+00
 E= -402.312989872251     Delta-E=       -0.000003713251 Rises=F Damp=F
 DIIS: error= 4.07D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.312989872251     IErMin= 5 ErrMin= 4.07D-05
 ErrMax= 4.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.90D-07 BMatP= 2.33D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.310D-02-0.609D-01-0.913D-02 0.423D+00 0.644D+00
 Coeff:      0.310D-02-0.609D-01-0.913D-02 0.423D+00 0.644D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.89D-05 MaxDP=1.10D-03 DE=-3.71D-06 OVMax= 2.99D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.01D-05    CP:  1.04D+00  1.16D+00  1.17D+00  1.57D+00  1.21D+00
 E= -402.312990485350     Delta-E=       -0.000000613099 Rises=F Damp=F
 DIIS: error= 9.95D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.312990485350     IErMin= 6 ErrMin= 9.95D-06
 ErrMax= 9.95D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.67D-08 BMatP= 5.90D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.150D-02-0.223D-01-0.135D-01 0.797D-01 0.300D+00 0.655D+00
 Coeff:      0.150D-02-0.223D-01-0.135D-01 0.797D-01 0.300D+00 0.655D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=5.78D-06 MaxDP=6.75D-04 DE=-6.13D-07 OVMax= 1.33D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.54D-06    CP:  1.04D+00  1.16D+00  1.17D+00  1.60D+00  1.28D+00
                    CP:  1.11D+00
 E= -402.312990570911     Delta-E=       -0.000000085561 Rises=F Damp=F
 DIIS: error= 3.30D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.312990570911     IErMin= 7 ErrMin= 3.30D-06
 ErrMax= 3.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-08 BMatP= 8.67D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.503D-04 0.363D-02-0.284D-02-0.545D-01-0.334D-02 0.263D+00
 Coeff-Com:  0.794D+00
 Coeff:     -0.503D-04 0.363D-02-0.284D-02-0.545D-01-0.334D-02 0.263D+00
 Coeff:      0.794D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=3.92D-06 MaxDP=4.54D-04 DE=-8.56D-08 OVMax= 8.17D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.34D-06    CP:  1.04D+00  1.16D+00  1.16D+00  1.61D+00  1.30D+00
                    CP:  1.15D+00  1.38D+00
 E= -402.312990587125     Delta-E=       -0.000000016214 Rises=F Damp=F
 DIIS: error= 9.79D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.312990587125     IErMin= 8 ErrMin= 9.79D-07
 ErrMax= 9.79D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.79D-10 BMatP= 1.09D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.147D-03 0.300D-02 0.494D-03-0.230D-01-0.293D-01-0.459D-02
 Coeff-Com:  0.220D+00 0.834D+00
 Coeff:     -0.147D-03 0.300D-02 0.494D-03-0.230D-01-0.293D-01-0.459D-02
 Coeff:      0.220D+00 0.834D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.21D-06 MaxDP=8.74D-05 DE=-1.62D-08 OVMax= 2.71D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.34D-07    CP:  1.04D+00  1.16D+00  1.16D+00  1.61D+00  1.30D+00
                    CP:  1.16D+00  1.53D+00  1.18D+00
 E= -402.312990588533     Delta-E=       -0.000000001408 Rises=F Damp=F
 DIIS: error= 2.51D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.312990588533     IErMin= 9 ErrMin= 2.51D-07
 ErrMax= 2.51D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.71D-11 BMatP= 7.79D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.276D-04 0.348D-03 0.381D-03-0.189D-03-0.529D-02-0.263D-01
 Coeff-Com: -0.183D-01 0.189D+00 0.860D+00
 Coeff:     -0.276D-04 0.348D-03 0.381D-03-0.189D-03-0.529D-02-0.263D-01
 Coeff:     -0.183D-01 0.189D+00 0.860D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=3.66D-07 MaxDP=2.23D-05 DE=-1.41D-09 OVMax= 7.95D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.38D-07    CP:  1.04D+00  1.16D+00  1.16D+00  1.61D+00  1.30D+00
                    CP:  1.16D+00  1.57D+00  1.26D+00  1.15D+00
 E= -402.312990588644     Delta-E=       -0.000000000112 Rises=F Damp=F
 DIIS: error= 7.89D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.312990588644     IErMin=10 ErrMin= 7.89D-08
 ErrMax= 7.89D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.99D-12 BMatP= 5.71D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.706D-05-0.234D-03 0.644D-04 0.261D-02 0.197D-02-0.852D-02
 Coeff-Com: -0.312D-01-0.412D-01 0.242D+00 0.834D+00
 Coeff:      0.706D-05-0.234D-03 0.644D-04 0.261D-02 0.197D-02-0.852D-02
 Coeff:     -0.312D-01-0.412D-01 0.242D+00 0.834D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.06D-07 MaxDP=5.93D-06 DE=-1.12D-10 OVMax= 2.90D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.49D-08    CP:  1.04D+00  1.16D+00  1.16D+00  1.61D+00  1.30D+00
                    CP:  1.16D+00  1.57D+00  1.27D+00  1.23D+00  1.29D+00
 E= -402.312990588656     Delta-E=       -0.000000000012 Rises=F Damp=F
 DIIS: error= 2.93D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.312990588656     IErMin=11 ErrMin= 2.93D-08
 ErrMax= 2.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.98D-13 BMatP= 7.99D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.584D-05-0.122D-03-0.224D-04 0.916D-03 0.137D-02-0.932D-04
 Coeff-Com: -0.797D-02-0.320D-01-0.781D-02 0.282D+00 0.764D+00
 Coeff:      0.584D-05-0.122D-03-0.224D-04 0.916D-03 0.137D-02-0.932D-04
 Coeff:     -0.797D-02-0.320D-01-0.781D-02 0.282D+00 0.764D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.72D-08 MaxDP=1.82D-06 DE=-1.18D-11 OVMax= 7.34D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.37D-08    CP:  1.04D+00  1.16D+00  1.16D+00  1.61D+00  1.30D+00
                    CP:  1.16D+00  1.57D+00  1.27D+00  1.26D+00  1.38D+00
                    CP:  1.08D+00
 E= -402.312990588694     Delta-E=       -0.000000000038 Rises=F Damp=F
 DIIS: error= 8.89D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -402.312990588694     IErMin=12 ErrMin= 8.89D-09
 ErrMax= 8.89D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.02D-14 BMatP= 9.98D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.277D-06 0.199D-05-0.884D-05-0.950D-04 0.549D-04 0.734D-03
 Coeff-Com:  0.144D-02-0.164D-02-0.283D-01-0.298D-01 0.146D+00 0.911D+00
 Coeff:      0.277D-06 0.199D-05-0.884D-05-0.950D-04 0.549D-04 0.734D-03
 Coeff:      0.144D-02-0.164D-02-0.283D-01-0.298D-01 0.146D+00 0.911D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.01D-08 MaxDP=9.05D-07 DE=-3.80D-11 OVMax= 3.40D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.37D-09    CP:  1.04D+00  1.16D+00  1.16D+00  1.61D+00  1.30D+00
                    CP:  1.16D+00  1.57D+00  1.27D+00  1.26D+00  1.41D+00
                    CP:  1.12D+00  1.24D+00
 E= -402.312990588684     Delta-E=        0.000000000010 Rises=F Damp=F
 DIIS: error= 3.42D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -402.312990588694     IErMin=13 ErrMin= 3.42D-09
 ErrMax= 3.42D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-14 BMatP= 7.02D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.569D-06 0.144D-04-0.960D-07-0.138D-03-0.142D-03 0.264D-03
 Coeff-Com:  0.142D-02 0.352D-02-0.844D-02-0.430D-01-0.509D-01 0.303D+00
 Coeff-Com:  0.794D+00
 Coeff:     -0.569D-06 0.144D-04-0.960D-07-0.138D-03-0.142D-03 0.264D-03
 Coeff:      0.142D-02 0.352D-02-0.844D-02-0.430D-01-0.509D-01 0.303D+00
 Coeff:      0.794D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=3.04D-09 MaxDP=2.27D-07 DE= 9.89D-12 OVMax= 9.34D-08

 SCF Done:  E(RwB97XD) =  -402.312990589     A.U. after   13 cycles
            NFock= 13  Conv=0.30D-08     -V/T= 2.0063
 KE= 3.998104101840D+02 PE=-1.756458111258D+03 EE= 5.456654712117D+02
 Leave Link  502 at Thu Aug 12 22:11:35 2021, MaxMem=  5368709120 cpu:            1713.5 elap:             214.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.73610209D+02

 Leave Link  801 at Thu Aug 12 22:11:36 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.57D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.41D-01 4.53D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.16D-02 2.10D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.16D-03 7.99D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.18D-04 1.93D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 4.51D-06 2.53D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 2.07D-07 4.80D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 4.31D-09 7.55D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 6.47D-11 9.08D-07.
      8 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 8.04D-13 1.25D-07.
      3 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.03D-14 1.31D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.877478D+02
      2  0.121199D+00  0.772214D+02
      3 -0.251648D+01  0.198713D+01  0.752905D+02
 Isotropic polarizability for W=    0.088559       80.09 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.737941D+02 -0.245687D+02  0.194634D+01
      2  -0.411926D+02  0.251270D+02 -0.936791D+01
      3  -0.326015D+02 -0.558291D+00  0.742157D+01
      4  -0.253462D+02  0.459174D+02 -0.181236D+02
      5   0.100373D+02 -0.207804D+02  0.619596D+02
      6  -0.466123D+01  0.114974D+01 -0.649668D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.248842D+01  0.102943D+01 -0.108552D+01
      2   0.609687D+01 -0.684387D+01  0.308191D+02
      3   0.718021D+01 -0.259721D+02  0.820014D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.265680D+01  0.105177D+02  0.593839D+01
      2  -0.809094D+01 -0.134624D+02  0.945611D+02
      3  -0.777412D+00 -0.871099D+02  0.161192D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.139336D-01 -0.147824D+01 -0.878550D+00
      2  -0.147824D+01 -0.509725D+00 -0.280358D+00
      3  -0.878550D+00 -0.280358D+00 -0.636355D+00
 OR G Eigenvalues:    -2.1656    -0.3528     1.3863  Iso=     0.3774
 Eigenvectors:
   (1)   0.617312   0.630698   0.470263
   (2)  -0.104013  -0.527075   0.843430
   (3)   0.779813  -0.569572  -0.259768
 w=    0.088559 a.u., Optical Rotation Beta=      0.3774 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      163.35 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.40D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.13D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 4.36D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 1.98D-02 2.14D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.01D-03 4.94D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.45D-05 4.34D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 1.30D-07 4.65D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 1.85D-09 4.30D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 1.67D-11 3.91D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 1.10D-13 3.04D-08.
      1 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 6.57D-16 3.04D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.16D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.16D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.73D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.877478D+02  0.121199D+00 -0.251648D+01
      2   0.121199D+00  0.772214D+02  0.198713D+01
      3  -0.251648D+01  0.198713D+01  0.752905D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.248842D+01  0.102943D+01 -0.108552D+01
      2   0.609687D+01 -0.684387D+01  0.308191D+02
      3   0.718021D+01 -0.259721D+02  0.820014D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.737941D+02 -0.245687D+02  0.194634D+01
      2  -0.411926D+02  0.251270D+02 -0.936791D+01
      3  -0.326015D+02 -0.558291D+00  0.742157D+01
      4  -0.253462D+02  0.459174D+02 -0.181236D+02
      5   0.100373D+02 -0.207804D+02  0.619596D+02
      6  -0.466123D+01  0.114974D+01 -0.649668D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.592523D+00  0.231311D+01 -0.347718D+01  0.372410D+01 -0.443413D+01
      2   0.231311D+01 -0.392691D+01  0.125914D+00 -0.443413D+01 -0.254694D+01
      3  -0.347718D+01  0.125914D+00  0.118555D+01 -0.702620D-01 -0.200696D+01
                 6             7             8             9            10 
      1  -0.702620D-01 -0.464395D+01  0.515638D+00 -0.832148D-01  0.155654D+01
      2  -0.200696D+01  0.515638D+00 -0.230917D+01  0.354485D+00 -0.269022D+01
      3   0.442437D+00 -0.832148D-01  0.354485D+00  0.702976D+01  0.416735D+01
                11            12            13            14            15 
      1  -0.269022D+01  0.416735D+01 -0.605248D+01  0.422326D+01  0.284923D+00
      2   0.403182D+01  0.308886D+00  0.422326D+01  0.401892D+01  0.283559D+01
      3   0.308886D+00 -0.404371D+00  0.284923D+00  0.283559D+01  0.110926D+00
                16            17            18            19            20 
      1   0.653306D+01 -0.370924D+00  0.114770D-01 -0.408331D+01  0.436668D+01
      2  -0.370924D+00  0.317775D+01  0.253426D+00  0.436668D+01 -0.224657D+01
      3   0.114770D-01  0.253426D+00 -0.521310D+01 -0.127249D+01  0.556704D+00
                21            22            23            24            25 
      1  -0.127249D+01  0.674863D+01 -0.136472D+01 -0.301810D+00 -0.345836D+01
      2   0.556704D+00 -0.136472D+01 -0.561259D+00 -0.231046D+00  0.640889D+00
      3  -0.458917D+00 -0.301810D+00 -0.231046D+00  0.182615D+01 -0.686455D+00
                26            27            28            29            30 
      1   0.640889D+00 -0.686455D+00  0.105801D+01 -0.261445D+01 -0.101192D+01
      2  -0.248532D+01  0.223052D+01 -0.261445D+01  0.339066D+00  0.175406D+01
      3   0.223052D+01  0.629393D+01 -0.101192D+01  0.175406D+01  0.382063D+00
                31            32            33            34            35 
      1  -0.356716D+01 -0.858103D-01  0.196458D+01 -0.429690D+01  0.168195D+01
      2  -0.858103D-01 -0.399292D+00  0.584921D+00  0.168195D+01 -0.234044D+00
      3   0.196458D+01  0.584921D+00 -0.131644D+01  0.180416D+01 -0.960980D+00
                36            37            38            39            40 
      1   0.180416D+01  0.489062D+01  0.171140D+01 -0.173624D+01  0.282936D+00
      2  -0.960980D+00  0.171140D+01  0.185619D+01 -0.789275D+00  0.118734D+00
      3  -0.310977D+01 -0.173624D+01 -0.789275D+00  0.344657D+00 -0.100950D+01
                41            42            43            44            45 
      1   0.118734D+00 -0.100950D+01 -0.356245D+01 -0.183331D+01 -0.106606D+01
      2  -0.318997D+01 -0.172281D+01 -0.183331D+01 -0.225404D+01 -0.155046D+01
      3  -0.172281D+01 -0.740308D+00 -0.106606D+01 -0.155046D+01 -0.277498D+01
                46            47            48            49            50 
      1   0.135090D+01  0.306853D+01 -0.433617D+01  0.305574D+01 -0.331924D+01
      2   0.306853D+01 -0.310339D+01  0.147199D+00 -0.331924D+01 -0.250743D+01
      3  -0.433617D+01  0.147199D+00  0.770099D+00  0.398753D-01 -0.321332D+01
                51            52            53            54            55 
      1   0.398753D-01 -0.357318D+01 -0.320777D-01  0.376556D+00 -0.366716D+01
      2  -0.321332D+01 -0.320777D-01 -0.260536D+01 -0.131707D+00 -0.742062D+00
      3   0.264083D+00  0.376556D+00 -0.131707D+00  0.370673D+01  0.175361D-01
                56            57            58            59            60 
      1  -0.742062D+00  0.175361D-01 -0.193780D+01 -0.559044D+00  0.110587D+00
      2  -0.219201D-02 -0.258744D+00 -0.559044D+00  0.448476D+01 -0.161779D+01
      3  -0.258744D+00  0.148453D+01  0.110587D+00 -0.161779D+01 -0.140255D+01
                61            62            63            64            65 
      1  -0.113336D+00 -0.773282D+00  0.823914D+00 -0.626375D+01  0.235383D+01
      2  -0.773282D+00 -0.497060D+00 -0.515950D+00  0.235383D+01 -0.178541D+01
      3   0.823914D+00 -0.515950D+00 -0.367608D+01  0.295985D+01 -0.139204D+01
                66            67            68            69            70 
      1   0.295985D+01  0.415636D+01 -0.203402D+01 -0.119249D+01  0.607747D+01
      2  -0.139204D+01 -0.203402D+01  0.391988D+01  0.183636D+01 -0.928290D+00
      3  -0.191512D+01 -0.119249D+01  0.183636D+01  0.179223D+01 -0.303955D+01
                71            72            73            74            75 
      1  -0.928290D+00 -0.303955D+01  0.605643D+00 -0.765389D+00 -0.103387D+01
      2   0.246379D+01  0.208869D+01 -0.765389D+00  0.475206D+00 -0.468984D-02
      3   0.208869D+01  0.626314D+01 -0.103387D+01 -0.468984D-02  0.290826D+00
                76            77            78            79            80 
      1  -0.119467D+01  0.218111D+00  0.912840D-01 -0.133060D+01 -0.953076D-01
      2   0.218111D+00 -0.162816D+00 -0.125089D+01 -0.953076D-01 -0.160418D+01
      3   0.912840D-01 -0.125089D+01 -0.754222D+00  0.206106D+00 -0.850290D+00
                81            82            83            84            85 
      1   0.206106D+00 -0.122865D+01 -0.942926D+00 -0.993913D+00 -0.110906D+01
      2  -0.850290D+00 -0.942926D+00 -0.150870D+01 -0.133203D+00 -0.124937D+01
      3  -0.875894D+01 -0.993913D+00 -0.133203D+00 -0.437459D+00 -0.836887D-01
                86            87            88            89            90 
      1  -0.124937D+01 -0.836887D-01 -0.130925D+01 -0.116333D+00 -0.170349D+00
      2  -0.780046D+01 -0.158628D+01 -0.116333D+00 -0.175827D+01 -0.155850D+01
      3  -0.158628D+01 -0.162682D+01 -0.170349D+00 -0.155850D+01 -0.527401D+00
                91            92            93            94            95 
      1  -0.758947D+01 -0.364336D+01  0.240944D+00 -0.219900D+01 -0.185540D+01
      2  -0.364336D+01 -0.290890D+01 -0.895614D-02 -0.185540D+01 -0.225767D+01
      3   0.240944D+00 -0.895614D-02 -0.111643D+01  0.170879D+00  0.121966D-03
                96            97            98            99           100 
      1   0.170879D+00  0.254747D+01  0.141719D+01 -0.996639D+00 -0.114609D+01
      2   0.121966D-03  0.141719D+01  0.113441D+01 -0.575410D+00  0.146006D+00
      3  -0.596887D+00 -0.996639D+00 -0.575410D+00  0.341574D+00  0.507853D+00
               101           102           103           104           105 
      1   0.146006D+00  0.507853D+00  0.465458D+00 -0.327479D+00 -0.120483D+00
      2  -0.149987D+01 -0.283465D+00 -0.327479D+00  0.160498D+01  0.842227D+00
      3  -0.283465D+00 -0.187932D+01 -0.120483D+00  0.842227D+00  0.193880D+01
               106           107           108           109           110 
      1   0.158110D+01 -0.500748D-01 -0.951682D+00  0.582599D+01  0.225068D+01
      2  -0.500748D-01  0.223076D+01  0.184256D+01  0.225068D+01  0.257248D+01
      3  -0.951682D+00  0.184256D+01  0.398894D+01 -0.375489D+00  0.174107D+00
               111           112           113           114           115 
      1  -0.375489D+00  0.238804D+01  0.110252D+01  0.378227D+00 -0.885325D+00
      2   0.174107D+00  0.110252D+01  0.200411D+01 -0.549921D-01  0.329665D+00
      3   0.686299D+00  0.378227D+00 -0.549921D-01  0.773072D+00  0.240813D+00
               116           117           118           119           120 
      1   0.329665D+00  0.240813D+00  0.923890D+00  0.661106D+00  0.109108D+01
      2  -0.555318D+00  0.556793D+00  0.661106D+00  0.136664D+01  0.506318D+00
      3   0.556793D+00 -0.372521D+00  0.109108D+01  0.506318D+00  0.867726D+00
               121           122           123           124           125 
      1   0.134164D+01  0.125367D+01  0.879772D+00  0.839513D+00  0.378540D+00
      2   0.125367D+01  0.491487D+01  0.193213D+01  0.378540D+00  0.164709D+01
      3   0.879772D+00  0.193213D+01  0.294775D+01  0.474544D+00  0.136108D+01
               126           127           128           129           130 
      1   0.474544D+00 -0.494298D+01 -0.120133D+01  0.234689D+01 -0.121550D+01
      2   0.136108D+01 -0.120133D+01 -0.104989D+01  0.899596D+00 -0.529790D+00
      3   0.163521D+01  0.234689D+01  0.899596D+00 -0.330705D+01  0.517591D+00
               131           132           133           134           135 
      1  -0.529790D+00  0.517591D+00  0.202545D+01  0.516742D+00 -0.182480D+01
      2  -0.696889D+00  0.116229D+01  0.516742D+00  0.944376D+00 -0.696893D+00
      3   0.116229D+01 -0.101051D+01 -0.182480D+01 -0.696893D+00  0.259858D+01
               136           137           138           139           140 
      1   0.384487D+01 -0.248832D+01  0.245569D+01 -0.278134D+01  0.246139D+01
      2  -0.248832D+01  0.251485D+01 -0.138908D+01  0.246139D+01 -0.316345D+01
      3   0.245569D+01 -0.138908D+01  0.232966D+01 -0.142031D+01  0.222675D+01
               141           142           143           144           145 
      1  -0.142031D+01  0.145849D+01 -0.920457D+00  0.151158D+01  0.823511D-01
      2   0.222675D+01 -0.920457D+00  0.149163D+01 -0.147817D+01 -0.191411D+00
      3  -0.235140D+01  0.151158D+01 -0.147817D+01  0.190858D+01 -0.636064D+00
               146           147           148           149           150 
      1  -0.191411D+00 -0.636064D+00 -0.492033D+00  0.705732D+00  0.663189D-01
      2   0.220050D+00 -0.220145D-02  0.705732D+00 -0.115347D-01 -0.859598D+00
      3  -0.220145D-02 -0.130640D+00  0.663189D-01 -0.859598D+00 -0.412680D+00
               151           152           153           154           155 
      1  -0.195286D+01  0.129478D+00  0.186345D+01  0.207656D+01  0.143708D+01
      2   0.129478D+00 -0.112709D+01 -0.323647D+00  0.143708D+01  0.207532D+01
      3   0.186345D+01 -0.323647D+00 -0.946810D+01  0.415164D+00  0.893717D-01
               156           157           158           159           160 
      1   0.415164D+00  0.318202D+01  0.235743D+01 -0.144669D+00  0.146857D+01
      2   0.893717D-01  0.235743D+01  0.533530D+01  0.563939D+00  0.348329D+00
      3   0.446142D+00 -0.144669D+00  0.563939D+00  0.127086D+01  0.517899D+00
               161           162           163           164           165 
      1   0.348329D+00  0.517899D+00  0.611353D+01 -0.302898D+01  0.670974D+00
      2   0.121956D+01  0.750107D+00 -0.302898D+01  0.258021D+01 -0.300495D+00
      3   0.750107D+00 -0.123682D-01  0.670974D+00 -0.300495D+00  0.861767D+00
               166           167           168           169           170 
      1  -0.479587D+01  0.331815D+01 -0.160825D+00  0.259509D+01 -0.838370D+00
      2   0.331815D+01 -0.298509D+01  0.559361D+00 -0.838370D+00  0.112048D+01
      3  -0.160825D+00  0.559361D+00 -0.115448D+01  0.988242D+00 -0.795669D+00
               171 
      1   0.988242D+00
      2  -0.795669D+00
      3   0.146796D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.340463D+01  0.347580D+01  0.502206D+00  0.449983D+01  0.138570D+01
      2  -0.841792D+01  0.215145D+01  0.110997D+01  0.321516D+01 -0.911744D+01
      3  -0.667304D+01  0.866392D+01  0.132804D+01  0.160278D+02  0.103060D+02
                 6             7             8             9            10 
      1  -0.419639D+00  0.627855D+00  0.321804D+01  0.123407D+01  0.349525D+01
      2   0.764324D+00 -0.833837D+01  0.129172D+01  0.206555D+02  0.751164D+01
      3   0.424899D+01 -0.107228D+01  0.628947D+01 -0.109664D+01  0.975841D+00
                11            12            13            14            15 
      1  -0.927318D+00 -0.821935D-01 -0.835219D+00  0.408967D+01 -0.495760D+01
      2  -0.139065D+01  0.407856D+01 -0.397104D+01  0.423292D+01 -0.215205D+00
      3  -0.361056D+01 -0.183302D+01  0.183934D+01 -0.113788D+02 -0.311085D+01
                16            17            18            19            20 
      1  -0.605970D+00  0.168910D+01 -0.297282D+01 -0.264443D+01 -0.567266D+00
      2  -0.242586D+01  0.961273D+00 -0.517233D+01 -0.185085D+01  0.220879D+01
      3  -0.942100D+00 -0.235573D+01 -0.715870D+00  0.768039D+01 -0.563187D+01
                21            22            23            24            25 
      1  -0.137389D+01  0.234299D+01 -0.246994D+00  0.288302D+01 -0.292875D+01
      2   0.190271D+01  0.565636D+01 -0.162794D+01  0.230895D+01 -0.744073D+01
      3   0.674412D+00  0.930825D+00  0.106637D+01 -0.108556D+01 -0.211886D+01
                26            27            28            29            30 
      1   0.492232D+01 -0.246630D+01  0.154486D+01  0.358995D+01  0.218030D+01
      2   0.102773D+01 -0.167678D+01 -0.561257D+01 -0.178785D+01 -0.479564D+01
      3   0.156822D+01  0.420899D+00 -0.973940D+01  0.262095D+01 -0.156232D+01
                31            32            33            34            35 
      1   0.126088D+00 -0.844242D+01 -0.715886D+00  0.715591D+00  0.200404D+01
      2   0.281819D+01  0.185720D+01  0.986754D-01 -0.995299D+01  0.304970D+00
      3   0.391968D+01  0.427397D+01 -0.198148D+01 -0.578694D+01 -0.677134D+01
                36            37            38            39            40 
      1   0.706379D+01 -0.299898D+01 -0.712567D+00 -0.514958D+00 -0.124164D+00
      2   0.921043D+01  0.591096D+01  0.278223D+01  0.835518D+00 -0.236557D+01
      3  -0.202361D+01 -0.651477D+00 -0.746792D+00  0.818845D+00  0.554831D+01
                41            42            43            44            45 
      1   0.258313D+01 -0.437686D+01  0.264135D+01  0.353445D+01 -0.317196D+01
      2   0.246616D+01  0.213446D+01 -0.483657D+01  0.135817D+01  0.591596D+01
      3  -0.771525D+01 -0.229052D+01  0.246675D+01 -0.250936D+01 -0.284728D+01
                46            47            48            49            50 
      1   0.278143D+01 -0.567531D+01  0.521782D+00 -0.597489D+01 -0.749719D+01
      2  -0.100149D+02 -0.597195D+01  0.128742D+02 -0.424129D+01  0.161272D+01
      3  -0.510978D+01  0.220396D+00  0.200138D+01  0.446042D+01  0.578051D+01
                51            52            53            54            55 
      1  -0.956494D+01 -0.217119D+00 -0.364887D+01  0.317074D+01  0.130023D+01
      2  -0.233933D+00  0.591587D+01  0.209963D+00  0.282436D+01 -0.219222D+01
      3   0.394043D+01  0.197900D+01  0.333196D+01  0.156463D+00 -0.134117D+02
                56            57            58            59            60 
      1   0.282530D+01 -0.315265D+01  0.514662D+00 -0.248513D+01 -0.333248D+01
      2   0.105499D+00  0.247716D+01 -0.849932D+00 -0.260627D+00 -0.142961D+01
      3  -0.731224D+01 -0.550478D+00  0.496171D+01 -0.392313D+00  0.594943D+00
                61            62            63            64            65 
      1  -0.222290D+01  0.703781D+01  0.103595D+02 -0.697108D+00 -0.307327D+01
      2  -0.177694D+01 -0.197983D+00  0.107346D+01 -0.176656D+01  0.250037D+01
      3  -0.233272D+01 -0.219026D+01  0.362524D+01  0.253745D+01 -0.835165D+01
                66            67            68            69            70 
      1   0.103721D+01  0.736481D+00  0.277383D+01 -0.314906D+01 -0.918683D-01
      2   0.934936D+01  0.930419D+00 -0.487828D+01 -0.340098D+01  0.142504D+01
      3  -0.832089D+00  0.712039D+00  0.610621D+01  0.372634D+01  0.386686D+01
                71            72            73            74            75 
      1   0.503244D+01 -0.251146D+01  0.408792D+00 -0.388853D+00  0.249617D+00
      2  -0.352315D+01 -0.140065D+02  0.669147D+00 -0.592573D+00 -0.131918D-01
      3   0.747720D+01  0.350708D+01 -0.205898D+00 -0.183899D+00 -0.406399D+00
                76            77            78            79            80 
      1  -0.664572D+00  0.769563D+00 -0.184976D+00  0.373212D+00  0.367291D+01
      2  -0.105436D+01  0.168327D+00 -0.333323D+00 -0.441734D+01 -0.498643D-01
      3   0.162626D+01 -0.169150D+00 -0.158805D+00  0.537369D+00 -0.191929D+00
                81            82            83            84            85 
      1   0.158398D+01 -0.118666D+01  0.789428D-01 -0.610994D+00 -0.282463D+00
      2   0.515298D+00 -0.164522D+01 -0.257248D+00  0.145708D+00 -0.545189D+00
      3  -0.573159D-02  0.340196D+01  0.141649D+01  0.108255D+01  0.578073D+01
                86            87            88            89            90 
      1   0.402563D+00 -0.407712D+01 -0.852734D-01  0.355556D+00 -0.347844D+00
      2  -0.153197D+01 -0.133991D+01 -0.199243D+01 -0.160549D+01 -0.436100D+00
      3   0.866493D+01  0.194838D+01  0.199184D+01  0.173125D+01  0.177219D+01
                91            92            93            94            95 
      1   0.332525D+01  0.193215D+01 -0.180559D+01  0.193316D+01  0.179591D+01
      2  -0.545647D+01 -0.281365D+01  0.370237D+01 -0.243689D+01 -0.180414D+01
      3   0.169900D+01 -0.358686D+01 -0.650821D+00  0.177490D+00 -0.195541D+01
                96            97            98            99           100 
      1  -0.886348D+00 -0.174316D+01 -0.676816D+00  0.123665D+01 -0.168221D+01
      2   0.151109D+01  0.288159D+01  0.162157D+01 -0.233406D+01  0.566389D+00
      3   0.124449D+00  0.129186D+00  0.184553D+01 -0.230179D+00 -0.261737D+01
               101           102           103           104           105 
      1  -0.209010D+00  0.474193D+01 -0.146710D+00 -0.179274D+01 -0.519380D+01
      2   0.554780D+00  0.728022D-01  0.402406D+00  0.133688D+00  0.501679D-01
      3  -0.935085D+00  0.141911D+01  0.580246D+00 -0.811272D+00 -0.197278D+00
               106           107           108           109           110 
      1   0.275579D+01 -0.299935D+01 -0.120001D+02 -0.658679D+00 -0.165863D+01
      2  -0.238319D+01  0.521461D-01 -0.116212D+01  0.253680D+01  0.532684D+00
      3   0.495000D+01 -0.255254D+00 -0.312812D+01  0.168106D+02  0.162070D+01
               111           112           113           114           115 
      1  -0.254805D+01 -0.148195D+01 -0.705052D+00 -0.152891D+01 -0.483512D+00
      2   0.194576D+01  0.718307D+00  0.398879D+00  0.117264D+01 -0.965680D+00
      3  -0.396947D+00  0.493733D+01  0.163782D+01  0.104820D+01 -0.172147D+01
               116           117           118           119           120 
      1   0.207712D+00 -0.453786D+00  0.190981D+01  0.298914D+01  0.107244D+01
      2   0.496711D+00  0.599500D-01  0.218123D+00 -0.530865D+00  0.539317D+00
      3   0.817402D+00  0.379263D-01 -0.649113D+00 -0.287821D+01 -0.102032D+01
               121           122           123           124           125 
      1   0.250773D+01  0.131790D+02  0.277053D+01  0.136747D+01  0.506737D+01
      2  -0.247311D+01  0.246431D+00  0.320876D+01 -0.222014D+01  0.870958D+00
      3   0.133144D+00 -0.813098D+01 -0.236254D+01 -0.537063D+00 -0.191157D+01
               126           127           128           129           130 
      1   0.311148D+01 -0.240400D+00 -0.247229D+01 -0.128207D+01 -0.864480D+00
      2   0.108735D+01  0.154195D+02  0.310476D+01 -0.578174D+01  0.279431D+01
      3  -0.214220D+01  0.536833D+01  0.106380D+00 -0.197608D+01  0.233136D+01
               131           132           133           134           135 
      1  -0.515699D-01  0.307602D+00 -0.330081D+00  0.257716D+01  0.540695D+00
      2   0.215757D+01 -0.167758D+01 -0.815520D+01 -0.189504D+01  0.536138D+01
      3   0.651644D+00 -0.147451D+01 -0.192568D+01 -0.506070D+00  0.191992D+01
               136           137           138           139           140 
      1  -0.260541D+01  0.463851D+01  0.424722D+00  0.342164D+01 -0.454530D+01
      2  -0.407919D+01  0.248236D+01  0.123402D+01  0.396085D+01 -0.132128D+01
      3  -0.266884D+00 -0.331346D+01  0.304606D+00  0.371037D+00  0.326705D+01
               141           142           143           144           145 
      1   0.400518D+00 -0.650725D+00  0.286318D+01 -0.599973D+00 -0.160353D+00
      2  -0.155382D+01 -0.269406D+01  0.104594D+00  0.365535D+00 -0.225184D+01
      3  -0.201920D+01 -0.509773D+00 -0.190819D+01  0.775598D+00  0.718135D+00
               146           147           148           149           150 
      1  -0.128544D+00 -0.625430D-01 -0.529651D+00 -0.340616D+00 -0.268341D+00
      2  -0.124297D+00  0.350335D+00 -0.292466D+00 -0.113550D+01 -0.925978D+00
      3  -0.127968D+01  0.285325D+00 -0.844618D+00 -0.638125D+00  0.185707D+01
               151           152           153           154           155 
      1   0.461842D+00  0.390457D+01 -0.277641D+01 -0.110433D+01 -0.175900D+01
      2  -0.718998D+00 -0.695862D+00 -0.234608D+02  0.269514D+01  0.162009D+01
      3   0.514354D+00  0.318762D+01  0.337239D+00 -0.458590D+01 -0.690380D+01
               156           157           158           159           160 
      1  -0.855291D+00 -0.181427D+01 -0.397928D+01 -0.253951D+01 -0.321709D+00
      2   0.247009D+01  0.161332D+01  0.414903D+01  0.455595D+01  0.970984D+00
      3  -0.434231D+00 -0.412362D+01 -0.183597D+02 -0.221379D+01 -0.457877D+00
               161           162           163           164           165 
      1   0.275471D+00 -0.978620D+00  0.261756D+01 -0.195774D+01  0.155801D+01
      2   0.222237D+01  0.694200D+00  0.650132D+01 -0.358146D+01  0.515189D+01
      3  -0.410864D+01 -0.204249D+01  0.465796D+01 -0.852781D+01  0.754849D+00
               166           167           168           169           170 
      1  -0.210550D+01  0.211444D+01 -0.281541D+01  0.798837D+00 -0.424022D+00
      2  -0.387949D+01  0.425425D+01 -0.469467D+01  0.324740D+01 -0.261606D+01
      3  -0.549183D+01  0.785773D+01 -0.185379D+01  0.969384D+00 -0.354031D+01
               171 
      1   0.971943D+00
      2   0.174479D+01
      3   0.167958D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.192161D+01  0.124509D+02 -0.181880D+02  0.138273D+02 -0.271730D+02
      2  -0.759392D+01 -0.428793D+01  0.847763D+01 -0.461572D+01  0.835491D+01
      3   0.567231D+01 -0.816293D+01  0.971038D+01 -0.921156D+01  0.188181D+02
      4   0.157796D+02 -0.236353D+02  0.281407D+01 -0.319418D+02 -0.105850D+02
      5  -0.195703D+02 -0.688647D+00  0.702397D+01 -0.161422D+01 -0.797611D+01
      6   0.598820D+00  0.281901D+01 -0.883916D+00  0.228672D+01  0.392642D+01
                 6             7             8             9            10 
      1  -0.474527D+00 -0.222214D+02  0.270548D+01  0.129844D+02 -0.110677D+02
      2   0.145601D+01  0.720135D+01  0.192037D+00  0.811712D+01  0.127047D+01
      3  -0.981487D+00  0.150200D+02 -0.289751D+01 -0.211015D+02  0.979728D+01
      4  -0.998178D+01  0.519821D+01 -0.126285D+02  0.234220D+01 -0.517551D+01
      5   0.108619D+01  0.304624D+01  0.154618D+01  0.298690D+02  0.161031D+02
      6   0.172619D+01  0.240939D+00  0.199492D+01 -0.720303D+01 -0.447007D+01
                11            12            13            14            15 
      1  -0.259423D+01  0.137692D+02 -0.303585D+01  0.184729D+02  0.400599D+01
      2   0.343429D+00 -0.941052D+01  0.368181D+00 -0.217368D+02 -0.604588D+01
      3   0.225080D+01 -0.435871D+01  0.266767D+01  0.326388D+01  0.203990D+01
      4   0.824335D+01 -0.231298D+01  0.178512D+02  0.278945D+01  0.454116D+01
      5   0.584674D+00 -0.279072D+01  0.818628D+00  0.474233D+01 -0.424503D-01
      6   0.274859D-01  0.698763D+00  0.439938D+00 -0.941869D+01  0.352486D+01
                16            17            18            19            20 
      1   0.177016D+02  0.781117D+00  0.294910D+01 -0.465630D+01 -0.570263D+00
      2  -0.852787D+01 -0.351797D+01 -0.965636D+00  0.840249D+01 -0.410402D+01
      3  -0.917377D+01  0.273686D+01 -0.198346D+01 -0.374619D+01  0.467428D+01
      4  -0.434771D+01  0.524709D+01  0.134583D+01 -0.149809D+01 -0.120160D+01
      5  -0.183002D+01  0.159670D+01 -0.127822D+02 -0.476625D+01 -0.101038D+01
      6  -0.142966D+00 -0.258389D+01  0.471504D+01  0.958095D+00  0.104481D+01
                21            22            23            24            25 
      1  -0.244551D+01  0.345651D+01  0.164015D+01  0.630190D+00 -0.827998D+01
      2   0.449914D+01 -0.453111D+01 -0.328622D+01  0.391973D+01  0.463905D+01
      3  -0.205364D+01  0.107459D+01  0.164607D+01 -0.454992D+01  0.364093D+01
      4   0.636923D+00 -0.117442D+02  0.415811D+01 -0.221083D+01  0.317024D+01
      5   0.174674D+01  0.102781D+01  0.666823D+00  0.460783D+01  0.269299D+01
      6  -0.582376D+00 -0.321290D+01  0.511490D+01 -0.820098D+01 -0.117457D+01
                26            27            28            29            30 
      1   0.794938D+01  0.799862D+01 -0.709827D+01  0.965028D+01 -0.258411D+00
      2  -0.485431D+01  0.172963D+02  0.354159D+01 -0.741700D+01 -0.339580D+01
      3  -0.309508D+01 -0.252949D+02  0.355668D+01 -0.223328D+01  0.365421D+01
      4   0.695727D+00 -0.173089D+01  0.816642D+01 -0.833097D+01 -0.815950D+01
      5  -0.730707D+00  0.560275D+00  0.720979D+01 -0.754049D+01 -0.123846D+02
      6   0.576254D+01 -0.198129D+01 -0.528785D+01  0.175989D+01 -0.265977D+01
                31            32            33            34            35 
      1   0.137990D+02  0.373387D+01 -0.458129D+01  0.150289D+02 -0.263457D+01
      2  -0.774863D+01 -0.606149D+01  0.861972D+01 -0.842946D+01 -0.334340D+01
      3  -0.605037D+01  0.232762D+01 -0.403843D+01 -0.659948D+01  0.597796D+01
      4  -0.487524D+01 -0.255579D+01 -0.773922D+00 -0.108970D+02  0.740013D+01
      5  -0.161439D+02 -0.121242D+00 -0.299406D+01 -0.116261D+02  0.841757D+00
      6  -0.314090D+01 -0.635710D+01 -0.220590D+01 -0.113034D+01 -0.175838D+01
                36            37            38            39            40 
      1  -0.732046D+01 -0.171714D+02 -0.832846D+01  0.758179D+01 -0.696198D+01
      2   0.561362D+01  0.332817D+01  0.352831D+01 -0.461609D+01  0.288377D+01
      3   0.170684D+01  0.138432D+02  0.480016D+01 -0.296570D+01  0.407821D+01
      4   0.341724D+01 -0.145072D+02 -0.400213D+01  0.634830D+01  0.494726D+01
      5   0.151025D+02  0.770665D+01  0.382943D+01  0.741303D+01  0.798171D+01
      6  -0.558205D+01  0.560491D+01  0.218924D+01  0.159401D+01  0.570202D+01
                41            42            43            44            45 
      1  -0.156671D+02 -0.843472D+00  0.126164D+02  0.122761D+01 -0.417606D+01
      2   0.207146D+02  0.140941D+00 -0.515867D+01  0.257731D+01 -0.387487D+01
      3  -0.504753D+01  0.702530D+00 -0.745774D+01 -0.380493D+01  0.805093D+01
      4   0.145635D+02  0.758872D+01  0.138486D+02  0.111639D+02  0.527373D+01
      5   0.776890D+01  0.769762D+01  0.117803D+02  0.824312D+01  0.148017D+02
      6   0.858241D+01  0.950944D+01  0.332821D+01  0.983654D+01  0.909066D+01
                46            47            48            49            50 
      1   0.124946D+02  0.645979D+01 -0.111124D+02  0.521267D+01 -0.441260D+01
      2  -0.142116D+01  0.678557D-01  0.278870D+01  0.354680D+00  0.100811D+02
      3  -0.110734D+02 -0.652765D+01  0.832372D+01 -0.556735D+01 -0.566853D+01
      4   0.600183D+01 -0.138001D+02  0.867203D+01 -0.156588D+02 -0.218924D+01
      5  -0.558168D+01  0.101192D+02 -0.111314D+02  0.796004D+01 -0.186176D+02
      6   0.156999D+02 -0.112442D+02 -0.141098D+00 -0.127219D+02 -0.530489D+01
                51            52            53            54            55 
      1   0.101674D+01 -0.996082D+01 -0.482386D+00 -0.821678D+01  0.153311D+01
      2   0.345377D+01  0.227558D+01  0.265580D+01 -0.669681D+01 -0.348427D+01
      3  -0.447051D+01  0.768524D+01 -0.217341D+01  0.149136D+02  0.195117D+01
      4  -0.118169D+02  0.695485D+01 -0.835102D+01 -0.474056D-01 -0.183033D+02
      5   0.650330D+00 -0.119389D+02 -0.680279D+00  0.109919D+02  0.584675D+01
      6  -0.140965D+02 -0.724036D-01 -0.104893D+02 -0.954640D+00 -0.155061D+01
                56            57            58            59            60 
      1  -0.264415D+01  0.262459D+01 -0.310271D+01 -0.221962D+02  0.375615D+01
      2  -0.571029D+00 -0.241568D+01  0.101359D+01  0.336068D+02 -0.622825D+01
      3   0.321518D+01 -0.208911D+00  0.208912D+01 -0.114106D+02  0.247210D+01
      4  -0.870707D+00 -0.261884D+01  0.295404D+01 -0.450319D+01  0.605995D+00
      5  -0.150977D+01  0.434307D+01 -0.267685D+00 -0.545898D+00 -0.323155D+01
      6  -0.199592D+01  0.509040D+01  0.904719D+00 -0.726773D+01  0.704526D+01
                61            62            63            64            65 
      1   0.125387D+01  0.504175D+01 -0.897616D+00  0.341921D+02 -0.913501D+01
      2  -0.406682D+01 -0.129751D+01 -0.621978D+01 -0.186666D+02  0.371520D+01
      3   0.281294D+01 -0.374425D+01  0.711739D+01 -0.155255D+02  0.541981D+01
      4  -0.225138D+01 -0.885110D+00  0.327549D+01 -0.145248D+02  0.167359D+02
      5   0.311970D+01  0.104066D+00  0.156719D+01 -0.174372D+02  0.767937D+01
      6   0.290532D+01  0.120968D+01 -0.179055D+02  0.256549D+01 -0.316170D+01
                66            67            68            69            70 
      1  -0.903534D+01 -0.134209D+02  0.116566D+01  0.132558D+01 -0.150000D+02
      2   0.936895D+01  0.556235D+01  0.501788D+01 -0.230057D+01  0.103111D+02
      3  -0.333608D+00  0.785858D+01 -0.618354D+01  0.974990D+00  0.468889D+01
      4   0.783777D+01  0.160295D+02 -0.162733D+02 -0.905945D+01  0.590615D+01
      5   0.191592D+02  0.774553D+01 -0.926558D+01 -0.674607D+01  0.218443D+02
      6  -0.178545D+01 -0.405192D+01  0.341264D+01  0.757938D+01 -0.313107D+01
                71            72            73            74            75 
      1  -0.213496D+00  0.244039D+01  0.117679D+01  0.196437D+00  0.727372D-01
      2   0.272041D+00 -0.146632D+02 -0.499204D+01  0.602949D+00  0.638801D-02
      3  -0.585449D-01  0.122228D+02  0.381526D+01 -0.799386D+00 -0.791252D-01
      4  -0.130346D+02 -0.103754D+02 -0.182273D+00  0.169092D+01 -0.314949D+00
      5  -0.856280D+01 -0.297574D+02  0.688533D-02  0.443582D+00  0.629296D+01
      6   0.734390D+01  0.419485D+01 -0.176221D+00  0.313383D+00 -0.251874D+00
                76            77            78            79            80 
      1   0.863258D+00 -0.375957D+01 -0.109592D+01  0.106743D+01 -0.739471D-01
      2   0.246642D+00 -0.618208D+00 -0.280964D+01  0.222702D+00 -0.422786D+01
      3  -0.110990D+01  0.437778D+01  0.390556D+01 -0.129014D+01  0.430181D+01
      4   0.249203D+01 -0.253129D+00  0.568083D+00  0.739292D-01 -0.900153D-01
      5   0.405578D+00 -0.255579D-01 -0.538734D+00  0.543184D+01  0.475928D-01
      6   0.858801D+00  0.542937D+00  0.740480D+01  0.893156D+00  0.468740D+01
                81            82            83            84            85 
      1  -0.193402D+02 -0.272030D+00 -0.361731D+01 -0.255458D+01 -0.530637D+01
      2  -0.194944D+02  0.379888D+01  0.480248D+01  0.221042D+01  0.558695D+01
      3   0.388346D+02 -0.352685D+01 -0.118517D+01  0.344164D+00 -0.280582D+00
      4   0.102582D+01  0.972632D+00  0.400624D+01  0.850592D+00  0.295143D+01
      5   0.350457D+00 -0.156952D+01  0.719236D+00  0.120571D+01  0.117823D+01
      6  -0.100972D+01  0.168165D+01  0.176033D+01  0.712719D+00  0.131142D+01
                86            87            88            89            90 
      1  -0.194609D+02 -0.258234D+01 -0.388350D+01 -0.395357D+01 -0.505923D+01
      2   0.309007D+02  0.548488D+01  0.242989D+01  0.417531D+01  0.288055D+01
      3  -0.114398D+02 -0.290253D+01  0.145361D+01 -0.221739D+00  0.217868D+01
      4  -0.953217D+01 -0.189213D+01  0.485495D+00 -0.222333D+01 -0.157047D+01
      5  -0.218309D+01 -0.326965D+01  0.238208D+01 -0.211594D+01  0.810907D-02
      6   0.821049D+01  0.701220D+01  0.139212D+01  0.883278D+01  0.438617D+01
                91            92            93            94            95 
      1   0.369133D+02  0.143386D+02 -0.229673D+01  0.622169D+01  0.481976D+01
      2  -0.128672D+02 -0.258715D+01  0.424986D-01  0.976420D+00  0.250524D+01
      3  -0.240461D+02 -0.117515D+02  0.225423D+01 -0.719811D+01 -0.732500D+01
      4   0.275050D+02  0.182430D+02 -0.786549D+00  0.130219D+02  0.122043D+02
      5   0.275890D+01  0.162228D+01  0.514962D+01  0.559813D+00  0.830715D+00
      6  -0.102796D+01  0.282748D+00  0.227835D+01  0.376410D+00  0.323845D+00
                96            97            98            99           100 
      1  -0.545969D+00 -0.110926D+02 -0.502141D+01  0.340561D+01  0.172483D+00
      2  -0.287178D+00  0.340988D+01  0.387610D+00 -0.134689D+01  0.113388D+00
      3   0.833148D+00  0.768269D+01  0.463380D+01 -0.205872D+01 -0.285870D+00
      4  -0.531095D+00 -0.978267D+01 -0.687310D+01  0.423222D+01 -0.174287D+01
      5   0.205725D+01  0.542969D+01  0.281817D+01 -0.193179D+01 -0.824932D+00
      6   0.185006D+01  0.335768D+01  0.246976D+01 -0.158394D+01  0.233041D+01
               101           102           103           104           105 
      1   0.379608D+01 -0.197013D+00  0.973018D+00 -0.437681D+01 -0.237116D+01
      2  -0.535683D+01 -0.106747D+01 -0.139558D+01  0.654723D+01  0.332516D+01
      3   0.156075D+01  0.126448D+01  0.422560D+00 -0.217042D+01 -0.954002D+00
      4   0.241437D+01  0.171069D+01  0.275397D+01 -0.131614D+01 -0.530651D+00
      5   0.213898D+00  0.725675D+00  0.456592D+00 -0.484209D+00  0.258554D+00
      6   0.449009D+00 -0.706429D+01 -0.538087D+00  0.314414D+01  0.975997D+01
               106           107           108           109           110 
      1   0.846743D+00 -0.704759D+01 -0.803351D+01  0.586167D+01 -0.227087D+01
      2  -0.121315D+00  0.828900D+01  0.539139D+01  0.390005D+01  0.877761D+01
      3  -0.725427D+00 -0.124141D+01  0.264213D+01 -0.976172D+01 -0.650674D+01
      4   0.418925D+01 -0.703420D+00 -0.368848D+01  0.215144D+02  0.136109D+02
      5   0.127986D+01 -0.642856D+00 -0.404466D+00 -0.417394D+01 -0.759494D+00
      6  -0.461289D+01  0.102036D+02  0.169114D+02 -0.193549D+01 -0.321690D+00
               111           112           113           114           115 
      1  -0.131348D+01  0.110266D+01 -0.129627D+01  0.359035D+00 -0.206076D+01
      2   0.130214D+01  0.344394D+01  0.655841D+01 -0.453629D+00  0.257680D+01
      3   0.113455D-01 -0.454660D+01 -0.526215D+01  0.945941D-01 -0.516047D+00
      4  -0.847701D+00  0.123667D+02  0.750109D+01  0.175833D+01 -0.161057D+01
      5   0.245687D+01 -0.412445D+00  0.565504D-02  0.147400D+01  0.335111D+01
      6   0.301356D+01  0.128728D+01 -0.470744D+00  0.311610D+01  0.792691D+00
               116           117           118           119           120 
      1   0.659667D+00 -0.831486D+00  0.227643D+01  0.206584D+01  0.167768D+01
      2  -0.278590D-01  0.583011D+00 -0.307954D+01 -0.239517D+01 -0.312920D+01
      3  -0.631808D+00  0.248475D+00  0.803113D+00  0.329338D+00  0.145152D+01
      4   0.125870D+01  0.118491D+01  0.353691D+01  0.663475D+01  0.145442D+01
      5   0.529800D+00 -0.814983D+00  0.573373D+01  0.388698D+01  0.743285D+01
      6   0.353145D+01 -0.606368D+00  0.197117D+01  0.515203D+01  0.208480D+01
               121           122           123           124           125 
      1   0.373406D+01 -0.269482D+01 -0.478738D+01  0.860455D+00 -0.274605D+01
      2  -0.414887D+01 -0.664080D+00 -0.660791D+01 -0.215372D+01 -0.344718D+01
      3   0.414807D+00  0.335890D+01  0.113953D+02  0.129326D+01  0.619323D+01
      4   0.648325D+01  0.132967D+02  0.659673D+01  0.726884D+00  0.446595D+01
      5   0.743658D+01  0.104358D+02  0.105379D+02  0.577321D+01  0.540811D+01
      6   0.557570D+01  0.182104D+02  0.100933D+02  0.226867D+01  0.946472D+01
               126           127           128           129           130 
      1  -0.387860D+01 -0.913309D+01 -0.547646D+01  0.129292D+02 -0.391780D+01
      2  -0.400775D+01  0.240053D+00  0.234435D+01  0.263242D+01  0.206176D+01
      3   0.788634D+01  0.889304D+01  0.313211D+01 -0.155616D+02  0.185604D+01
      4   0.393970D+01  0.555040D+01  0.335797D+01 -0.350910D+01  0.423047D+01
      5   0.586432D+01 -0.124545D+02 -0.372642D+01  0.582443D+01 -0.366238D+01
      6   0.647048D+01 -0.712155D+01 -0.581871D+01  0.720563D+01 -0.323813D+01
               131           132           133           134           135 
      1  -0.414721D+01  0.391496D+01  0.901435D+01  0.358064D+01 -0.108647D+02
      2   0.190923D+01 -0.100663D+01  0.152120D+01 -0.700625D+00 -0.431462D+01
      3   0.223798D+01 -0.290833D+01 -0.105356D+02 -0.288002D+01  0.151793D+02
      4   0.162135D+01  0.386709D+00 -0.258387D+01 -0.413129D-01  0.215916D+01
      5   0.190364D+00  0.785728D+00  0.858832D+01  0.156338D+01 -0.485549D+01
      6  -0.385694D+01  0.682665D+01  0.439789D+01  0.618089D+01 -0.589348D+01
               136           137           138           139           140 
      1   0.113470D+02 -0.386006D+01  0.187465D+01 -0.498961D+01 -0.212679D+01
      2  -0.734126D+01  0.115398D+00 -0.566661D+01  0.675218D+00  0.545808D+01
      3  -0.400574D+01  0.374466D+01  0.379196D+01  0.431440D+01 -0.333129D+01
      4  -0.152868D+02  0.142800D+02 -0.854405D+01  0.148040D+02 -0.154065D+02
      5   0.191819D+02 -0.118577D+02  0.164274D+02 -0.129984D+02  0.130494D+02
      6  -0.112439D+02  0.117147D+02 -0.892540D+01  0.107652D+02 -0.147440D+02
               141           142           143           144           145 
      1   0.324112D+01  0.157008D+01  0.224838D+01 -0.212023D+01  0.983443D+00
      2   0.127202D+01 -0.425825D+01  0.924996D+00 -0.436045D+01 -0.254665D+01
      3  -0.451314D+01  0.268817D+01 -0.317338D+01  0.648068D+01  0.156321D+01
      4   0.933857D+01 -0.543480D+01  0.612368D+01 -0.720874D+01 -0.126196D+01
      5  -0.114527D+02  0.120592D+02 -0.781677D+01  0.113487D+02 -0.286863D+01
      6   0.131165D+02 -0.650508D+01  0.994028D+01 -0.940080D+01  0.757582D+00
               146           147           148           149           150 
      1  -0.137958D+01 -0.438733D+01 -0.183284D+01  0.782237D+00 -0.122237D+01
      2   0.472754D+00  0.231832D+01  0.561020D+00 -0.103458D+01  0.485725D+00
      3   0.906821D+00  0.206901D+01  0.127182D+01  0.252339D+00  0.736646D+00
      4   0.284206D+01  0.282303D+00  0.526266D+01 -0.101321D+00 -0.368802D+01
      5   0.167461D+00  0.588417D+01  0.770082D+00 -0.346064D+01 -0.143312D+01
      6   0.362904D-01  0.527991D+00 -0.122908D+01  0.131806D+01  0.628114D+01
               151           152           153           154           155 
      1  -0.800139D+01 -0.105525D+01 -0.128136D+02  0.151076D+02  0.875545D+01
      2   0.845590D+01  0.283799D+00 -0.197098D+02 -0.496513D+01 -0.274362D+01
      3  -0.454514D+00  0.771447D+00  0.325234D+02 -0.101425D+02 -0.601184D+01
      4   0.111839D+01 -0.565715D+01 -0.239949D+01  0.926836D+01  0.155042D+02
      5   0.152459D+02 -0.178548D+01 -0.449650D+02  0.120929D+01  0.325861D+00
      6  -0.192995D+01  0.676117D+01  0.799885D+01 -0.100593D+01 -0.251159D+01
               156           157           158           159           160 
      1   0.287871D+01  0.185037D+02  0.112328D+02  0.422464D+00  0.844654D+01
      2  -0.884498D+00 -0.789359D+01  0.261738D+01  0.129442D+01 -0.363385D+01
      3  -0.199422D+01 -0.106101D+02 -0.138501D+02 -0.171688D+01 -0.481269D+01
      4   0.118910D+01  0.188627D+02  0.295117D+02  0.302085D+01  0.280650D+01
      5   0.332085D+01 -0.185074D+01  0.304730D+01  0.792363D+01  0.375530D+01
      6   0.488149D+00 -0.165622D+01 -0.483162D+01  0.181445D+01  0.107080D+01
               161           162           163           164           165 
      1   0.183996D+01  0.428490D+00  0.424157D+02 -0.176753D+02  0.502493D+01
      2   0.145884D+00 -0.175794D+01 -0.161358D+02  0.461161D+01 -0.138310D+01
      3  -0.198585D+01  0.132945D+01 -0.262799D+02  0.130637D+02 -0.364183D+01
      4   0.640380D+01  0.415942D+01 -0.256914D+02  0.214986D+02 -0.271540D+01
      5   0.469463D+01  0.475247D+00  0.973516D+00 -0.511940D+00  0.719060D+01
      6   0.174147D+01  0.128133D+01  0.165162D+01 -0.249517D+01 -0.140020D+01
               166           167           168           169           170 
      1  -0.252065D+02  0.139830D+02 -0.149253D+01  0.137716D+02 -0.413050D+01
      2   0.676058D+01  0.209154D+01 -0.106318D+01 -0.501584D+01  0.188176D+00
      3   0.184460D+02 -0.160746D+02  0.255571D+01 -0.875575D+01  0.394233D+01
      4   0.269567D+02 -0.228092D+02  0.356315D+01 -0.757045D+01  0.772854D+01
      5   0.609191D+00  0.194259D+01 -0.737075D+01  0.736262D+01 -0.493748D+01
      6  -0.223563D+01  0.145257D+01  0.313364D+01 -0.182700D+01  0.209185D+01
               171 
      1   0.315227D+01
      2  -0.266349D+01
      3  -0.488780D+00
      4  -0.533485D+01
      5   0.205552D+01
      6  -0.940888D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:45:28 2021, MaxMem=  5368709120 cpu:           16231.1 elap:            2032.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.32882 -19.27129 -14.43409 -10.43845 -10.34199
 Alpha  occ. eigenvalues --  -10.31246 -10.29496 -10.28900  -1.22641  -1.13499
 Alpha  occ. eigenvalues --   -1.00283  -0.90265  -0.82091  -0.79362  -0.71185
 Alpha  occ. eigenvalues --   -0.66718  -0.62152  -0.59229  -0.57564  -0.55545
 Alpha  occ. eigenvalues --   -0.53749  -0.52890  -0.50283  -0.50164  -0.47581
 Alpha  occ. eigenvalues --   -0.46579  -0.44067  -0.43318  -0.42465  -0.41390
 Alpha  occ. eigenvalues --   -0.37176  -0.32807
 Alpha virt. eigenvalues --    0.03280   0.04068   0.04741   0.05051   0.06293
 Alpha virt. eigenvalues --    0.06723   0.07033   0.07563   0.07725   0.07923
 Alpha virt. eigenvalues --    0.09159   0.10446   0.11394   0.12471   0.13197
 Alpha virt. eigenvalues --    0.13533   0.14318   0.14415   0.15057   0.15226
 Alpha virt. eigenvalues --    0.15649   0.16115   0.17188   0.17805   0.18512
 Alpha virt. eigenvalues --    0.18826   0.19363   0.19578   0.19672   0.20306
 Alpha virt. eigenvalues --    0.21411   0.22416   0.23006   0.24016   0.24756
 Alpha virt. eigenvalues --    0.25508   0.26066   0.26558   0.26624   0.27608
 Alpha virt. eigenvalues --    0.28471   0.29138   0.29400   0.29775   0.31186
 Alpha virt. eigenvalues --    0.32075   0.32355   0.32933   0.33682   0.34138
 Alpha virt. eigenvalues --    0.34302   0.35553   0.36052   0.37599   0.38383
 Alpha virt. eigenvalues --    0.39549   0.40757   0.40979   0.41206   0.42461
 Alpha virt. eigenvalues --    0.42547   0.43323   0.43957   0.44229   0.44938
 Alpha virt. eigenvalues --    0.45600   0.46132   0.47529   0.48274   0.49770
 Alpha virt. eigenvalues --    0.50601   0.50946   0.51489   0.52738   0.53072
 Alpha virt. eigenvalues --    0.53588   0.54481   0.54857   0.55802   0.56521
 Alpha virt. eigenvalues --    0.57091   0.57915   0.58102   0.59244   0.59997
 Alpha virt. eigenvalues --    0.60862   0.62529   0.62629   0.63428   0.63646
 Alpha virt. eigenvalues --    0.65690   0.66405   0.67440   0.67541   0.69380
 Alpha virt. eigenvalues --    0.70279   0.70444   0.71732   0.72348   0.73074
 Alpha virt. eigenvalues --    0.74166   0.74711   0.75968   0.76160   0.77539
 Alpha virt. eigenvalues --    0.78305   0.79273   0.81025   0.81242   0.82521
 Alpha virt. eigenvalues --    0.83362   0.84725   0.84880   0.85948   0.86256
 Alpha virt. eigenvalues --    0.87962   0.88488   0.90339   0.90629   0.92254
 Alpha virt. eigenvalues --    0.93964   0.94677   0.97697   0.98534   0.99434
 Alpha virt. eigenvalues --    1.00289   1.01367   1.03833   1.04640   1.05214
 Alpha virt. eigenvalues --    1.07789   1.08315   1.10406   1.11889   1.13659
 Alpha virt. eigenvalues --    1.15200   1.16000   1.18508   1.18633   1.20700
 Alpha virt. eigenvalues --    1.21556   1.22746   1.25314   1.26560   1.28315
 Alpha virt. eigenvalues --    1.29860   1.33000   1.33863   1.35994   1.37428
 Alpha virt. eigenvalues --    1.41480   1.42841   1.43979   1.46658   1.48683
 Alpha virt. eigenvalues --    1.49036   1.50164   1.53073   1.56303   1.57438
 Alpha virt. eigenvalues --    1.59092   1.61609   1.63060   1.65495   1.67463
 Alpha virt. eigenvalues --    1.68633   1.69303   1.72819   1.74567   1.75339
 Alpha virt. eigenvalues --    1.77738   1.79281   1.81890   1.84281   1.86564
 Alpha virt. eigenvalues --    1.86885   1.88330   1.90238   1.91055   1.91836
 Alpha virt. eigenvalues --    1.93285   1.95481   1.95906   1.97459   1.98316
 Alpha virt. eigenvalues --    2.00442   2.01835   2.02819   2.07051   2.10007
 Alpha virt. eigenvalues --    2.10587   2.11694   2.14503   2.15594   2.16859
 Alpha virt. eigenvalues --    2.19865   2.20369   2.21325   2.23081   2.25230
 Alpha virt. eigenvalues --    2.26077   2.28519   2.29417   2.29603   2.31323
 Alpha virt. eigenvalues --    2.35197   2.36372   2.38492   2.39912   2.41546
 Alpha virt. eigenvalues --    2.42646   2.43593   2.46935   2.47408   2.50219
 Alpha virt. eigenvalues --    2.54653   2.58416   2.59631   2.61497   2.62549
 Alpha virt. eigenvalues --    2.65009   2.67781   2.70198   2.74617   2.75521
 Alpha virt. eigenvalues --    2.79328   2.83346   2.85012   2.87396   2.89742
 Alpha virt. eigenvalues --    2.95358   2.98112   3.02240   3.05013   3.10414
 Alpha virt. eigenvalues --    3.20756   3.22401   3.34421   3.41620   3.47129
 Alpha virt. eigenvalues --    3.48477   3.50101   3.51146   3.52897   3.53705
 Alpha virt. eigenvalues --    3.60204   3.62158   3.74890   3.79431   3.92897
 Alpha virt. eigenvalues --    4.12399
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.012137  -0.370600   0.397934  -0.203231   0.020545  -0.279426
     2  C   -0.370600   7.885906  -1.730310   0.411404   0.009972   0.379051
     3  C    0.397934  -1.730310  10.375883  -1.958487  -0.059549  -0.552222
     4  C   -0.203231   0.411404  -1.958487   6.917538  -0.071244  -0.000952
     5  O    0.020545   0.009972  -0.059549  -0.071244   8.322641   0.030365
     6  C   -0.279426   0.379051  -0.552222  -0.000952   0.030365   4.581372
     7  N   -0.033225   0.179024  -0.513733   0.137831   0.037950   0.074791
     8  O    0.025956  -0.007975   0.082900   0.141671  -0.020932   0.005376
     9  H   -0.164853   0.489748  -1.113962   0.010729  -0.035700   0.117829
    10  H   -0.005484  -1.091307   0.418925  -0.094394  -0.013816   0.049305
    11  H   -0.006436  -0.000300   0.043188  -0.072211   0.299747  -0.005563
    12  H   -0.009526   0.027795  -0.057207  -0.100843  -0.000333   0.011023
    13  H    0.016924  -0.090787  -0.061308   0.017864   0.001846   0.002905
    14  H   -0.130982   0.052705  -0.132189   0.030712  -0.008939   0.253974
    15  H   -0.109955   0.205632  -0.273444   0.101802  -0.003521   0.296270
    16  H    0.121298   0.014665   0.148116  -0.032007   0.006010   0.041635
    17  H    0.017332   0.404915  -0.153254   0.041228   0.002023  -0.031528
    18  H    0.386073  -0.316802   0.025711   0.032763   0.001564  -0.088693
    19  H    0.182480   0.143195   0.085505  -0.049991  -0.000559   0.030521
               7          8          9         10         11         12
     1  C   -0.033225   0.025956  -0.164853  -0.005484  -0.006436  -0.009526
     2  C    0.179024  -0.007975   0.489748  -1.091307  -0.000300   0.027795
     3  C   -0.513733   0.082900  -1.113962   0.418925   0.043188  -0.057207
     4  C    0.137831   0.141671   0.010729  -0.094394  -0.072211  -0.100843
     5  O    0.037950  -0.020932  -0.035700  -0.013816   0.299747  -0.000333
     6  C    0.074791   0.005376   0.117829   0.049305  -0.005563   0.011023
     7  N    6.638425   0.007191   0.064711  -0.063139  -0.001764   0.338840
     8  O    0.007191   8.374413  -0.039906  -0.003626  -0.042080   0.023193
     9  H    0.064711  -0.039906   2.158546  -0.037597   0.010442   0.038273
    10  H   -0.063139  -0.003626  -0.037597   2.449777   0.000084   0.000457
    11  H   -0.001764  -0.042080   0.010442   0.000084   0.584264  -0.000766
    12  H    0.338840   0.023193   0.038273   0.000457  -0.000766   0.846260
    13  H    0.314680   0.000711   0.014957  -0.009732   0.000677  -0.106344
    14  H   -0.013043  -0.003602   0.008655   0.093954  -0.000069   0.021292
    15  H    0.040083   0.005386   0.018733  -0.015463   0.003456  -0.000285
    16  H   -0.014447   0.000000   0.008313  -0.097822  -0.000433   0.001464
    17  H    0.018173   0.000082  -0.031939  -0.082797   0.000072   0.004240
    18  H    0.013727   0.000965  -0.018860   0.135422   0.000331  -0.003375
    19  H   -0.020229   0.001537   0.021351  -0.108549  -0.000966  -0.003362
              13         14         15         16         17         18
     1  C    0.016924  -0.130982  -0.109955   0.121298   0.017332   0.386073
     2  C   -0.090787   0.052705   0.205632   0.014665   0.404915  -0.316802
     3  C   -0.061308  -0.132189  -0.273444   0.148116  -0.153254   0.025711
     4  C    0.017864   0.030712   0.101802  -0.032007   0.041228   0.032763
     5  O    0.001846  -0.008939  -0.003521   0.006010   0.002023   0.001564
     6  C    0.002905   0.253974   0.296270   0.041635  -0.031528  -0.088693
     7  N    0.314680  -0.013043   0.040083  -0.014447   0.018173   0.013727
     8  O    0.000711  -0.003602   0.005386   0.000000   0.000082   0.000965
     9  H    0.014957   0.008655   0.018733   0.008313  -0.031939  -0.018860
    10  H   -0.009732   0.093954  -0.015463  -0.097822  -0.082797   0.135422
    11  H    0.000677  -0.000069   0.003456  -0.000433   0.000072   0.000331
    12  H   -0.106344   0.021292  -0.000285   0.001464   0.004240  -0.003375
    13  H    0.947816  -0.007236   0.003064  -0.004246  -0.007111  -0.011158
    14  H   -0.007236   1.642731  -0.229723  -0.393005   0.003767  -0.012080
    15  H    0.003064  -0.229723   1.562694  -0.383401  -0.016801   0.000727
    16  H   -0.004246  -0.393005  -0.383401   1.780186   0.019692  -0.006411
    17  H   -0.007111   0.003767  -0.016801   0.019692   1.670001  -0.284757
    18  H   -0.011158  -0.012080   0.000727  -0.006411  -0.284757   1.817012
    19  H    0.006261  -0.018825   0.008494   0.000882  -0.375689  -0.440698
              19
     1  C    0.182480
     2  C    0.143195
     3  C    0.085505
     4  C   -0.049991
     5  O   -0.000559
     6  C    0.030521
     7  N   -0.020229
     8  O    0.001537
     9  H    0.021351
    10  H   -0.108549
    11  H   -0.000966
    12  H   -0.003362
    13  H    0.006261
    14  H   -0.018825
    15  H    0.008494
    16  H    0.000882
    17  H   -0.375689
    18  H   -0.440698
    19  H    1.724501
 Mulliken charges:
               1
     1  C    1.133040
     2  C   -0.595930
     3  C    1.027503
     4  C    0.739817
     5  O   -0.518070
     6  C    1.083967
     7  N   -0.205846
     8  O   -0.551259
     9  H   -0.519471
    10  H   -0.524196
    11  H    0.188327
    12  H   -0.030794
    13  H   -0.029782
    14  H   -0.158098
    15  H   -0.213745
    16  H   -0.210489
    17  H   -0.197649
    18  H   -0.231463
    19  H   -0.185860
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.518067
     2  C   -1.120126
     3  C    0.508032
     4  C    0.739817
     5  O   -0.329743
     6  C    0.501635
     7  N   -0.266423
     8  O   -0.551259
 Electronic spatial extent (au):  <R**2>=           1044.1226
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.6348    Y=             -1.7291    Z=             -0.1667  Tot=              2.3854
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.4009   YY=            -50.8479   ZZ=            -51.6918
   XY=              5.8882   XZ=              1.6466   YZ=              0.5731
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.5793   YY=             -0.8677   ZZ=             -1.7116
   XY=              5.8882   XZ=              1.6466   YZ=              0.5731
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -22.3888  YYY=             -6.6414  ZZZ=             -2.4818  XYY=             -2.1918
  XXY=            -14.2731  XXZ=             -6.9940  XZZ=             -0.0724  YZZ=             -0.3532
  YYZ=              8.1788  XYZ=              1.4461
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -732.7139 YYYY=           -317.5036 ZZZZ=           -268.5726 XXXY=             53.4929
 XXXZ=             21.6457 YYYX=             27.9838 YYYZ=             20.6033 ZZZX=             -3.1619
 ZZZY=              5.0358 XXYY=           -154.9574 XXZZ=           -184.2342 YYZZ=           -101.0193
 XXYZ=             -4.6007 YYXZ=             -2.4650 ZZXY=              1.4711
 N-N= 4.086692392732D+02 E-N=-1.756458110658D+03  KE= 3.998104101840D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:45:29 2021, MaxMem=  5368709120 cpu:               3.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.04591913D-01-6.48839473D-01-5.52847422D-02
 Polarizability= 8.22684465D+01 7.08672778D-01 7.16520698D+01
                -2.79312531D+00 2.52988296D+00 6.99314743D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.2587    1.2582        0.0609    0.0606
 2     -1.2587   -1.2582       -0.9925   -0.9936       -5.2645   -5.2632
 3     -0.0609   -0.0606        6.2284    6.2287        0.9936    0.9936
 4      0.9925    0.9936        0.0000    0.0000       -0.0613   -0.0606
 5     -0.9638   -0.9654        0.0613    0.0606        1.2595    1.2582
 6     -0.9936   -0.9936       -1.2595   -1.2582       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.7747   -3.7747        0.1818    0.1818
 2      2.9807    2.9807       -0.0000    0.0000        0.1818    0.1818
 3      2.9807    2.9807       -3.7747   -3.7747        0.0000    0.0000
 4     -3.7747   -3.7747       -2.9807   -2.9807      -15.7897  -15.7897
 5     -0.1818   -0.1818       18.6860   18.6860        2.9807    2.9807
 6     -2.8963   -2.8963        0.1818    0.1818        3.7747    3.7747
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2017    0.0000       -4.9871   -5.0330       -0.1154   -0.2424
 2      5.0680    5.0330        4.1897    3.9743       20.8677   21.0529
 3      0.0416    0.2424      -25.0866  -24.9147       -4.0148   -3.9743
 4     -4.3523   -3.9743        0.0157    0.0000        0.4443    0.2424
 5      3.9894    3.8618       -0.0233   -0.2424       -4.9950   -5.0330
 6      3.7204    3.9743        4.8921    5.0330        0.0046    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0610    0.0000        6.1830    6.0947       -6.8942   -7.1263
 2     -6.4852   -6.0947        4.1822    4.8470        9.0618    8.7109
 3      6.7953    7.1263       21.3514   21.3771       -4.3061   -4.8470
 4     -4.5388   -4.8470        0.2687    0.0000        7.0324    7.1263
 5    -30.3869  -30.0880       -7.4501   -7.1263        5.6178    6.0947
 6      4.4755    4.8470       -6.4305   -6.0947       -0.0106    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.7739   -8.5910       18.4941   18.8495        8.9004    8.8875
 2    -15.7532  -16.0422       24.2411   24.0104        9.0598    8.8875
 3    -15.6842  -16.0422       19.0195   18.8495       11.1802   11.3142
 4     -5.3924   -5.1610        7.1565    7.4512       22.0702   21.6111
 5      2.1045    2.4267       37.6344   37.5519       -6.9651   -7.4512
 6    -59.4609  -59.1630       -2.5775   -2.4267        4.3273    5.1610
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0005    0.0007    0.0008    3.6031    6.8614    7.4295
 Low frequencies ---   55.9674   84.3057  177.0238
 Diagonal vibrational polarizability:
       22.7649292      24.8036039      20.1728203
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     55.9657                84.3054               177.0235
 Red. masses --      4.2165                 3.7206                 3.2649
 Frc consts  --      0.0078                 0.0156                 0.0603
 IR Inten    --      0.9726                 0.7299                 1.1156
 RamAct Fr= 1--      0.7754                 0.4868                 0.5686
  Dep-P Fr= 1--      0.7485                 0.7459                 0.6379
  Dep-U Fr= 1--      0.8562                 0.8544                 0.7789
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0012
 Beta2  Fr= 1--      0.1106                 0.0693                 0.0738
 AlphaG Fr= 1--     -0.0002                 0.0003                 0.0008
 Gamma2 Fr= 1--     -0.1701                 0.2992                 0.1729
 Delta2 Fr= 1--     -0.1874                 0.3051                 0.0729
 Raman1 Fr= 1--       3.101                  1.947                  2.275
 ROA1   Fr= 1--     -22.328                 38.486                 18.928
 CID1   Fr= 1--      -7.199                 19.763                  8.322
 Raman2 Fr= 1--       1.328                  0.832                  0.886
 ROA2   Fr= 1--      -2.584                  4.741                  3.566
 CID2   Fr= 1--      -1.946                  5.698                  4.025
 Raman3 Fr= 1--       2.655                  1.664                  1.772
 ROA3   Fr= 1--     -22.328                 38.486                 18.928
 CID3   Fr= 1--      -8.409                 23.130                 10.683
 RC180  Fr= 1--       0.712                  0.709                  0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.13   0.03    -0.06  -0.15  -0.14    -0.04  -0.13   0.01
     2   6     0.00  -0.01  -0.09    -0.02   0.00   0.02    -0.10   0.04  -0.06
     3   6    -0.00   0.02  -0.02     0.00   0.05   0.08    -0.01   0.13  -0.07
     4   6     0.00   0.04   0.02    -0.02   0.01  -0.03     0.06   0.02  -0.00
     5   8     0.10  -0.13   0.24     0.13  -0.08   0.03     0.18  -0.05   0.04
     6   6    -0.09  -0.23  -0.08     0.13   0.09   0.01    -0.20   0.02  -0.05
     7   7     0.03   0.01  -0.00     0.01   0.02   0.21    -0.01   0.12  -0.01
     8   8    -0.08   0.19  -0.13    -0.17   0.06  -0.16     0.08  -0.10   0.09
     9   1    -0.05   0.03  -0.02     0.03   0.14   0.07    -0.02   0.18  -0.07
    10   1     0.06   0.02  -0.25    -0.12   0.01   0.11    -0.20   0.08  -0.07
    11   1     0.09  -0.09   0.24     0.09  -0.09  -0.07     0.26  -0.20   0.13
    12   1    -0.06   0.03  -0.04    -0.12  -0.03   0.17     0.17   0.05   0.08
    13   1     0.05  -0.03   0.09     0.03  -0.01   0.37    -0.02   0.15  -0.17
    14   1    -0.24  -0.24   0.08     0.35   0.06  -0.09     0.03  -0.05  -0.03
    15   1    -0.09  -0.41  -0.18     0.12   0.30   0.10    -0.30   0.27  -0.12
    16   1    -0.03  -0.19  -0.14     0.03  -0.03  -0.01    -0.41  -0.17   0.01
    17   1     0.09   0.35   0.02    -0.17  -0.30  -0.13     0.02  -0.23   0.01
    18   1     0.01   0.08   0.25     0.01  -0.12  -0.33     0.03  -0.14  -0.05
    19   1     0.02   0.07  -0.08    -0.06  -0.13  -0.11    -0.13  -0.18   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    216.1581               221.7042               246.4993
 Red. masses --      1.1650                 1.1832                 1.0428
 Frc consts  --      0.0321                 0.0343                 0.0373
 IR Inten    --     17.5011                16.6063                 4.8632
 RamAct Fr= 1--      0.2666                 0.1581                 0.1126
  Dep-P Fr= 1--      0.3132                 0.3461                 0.5444
  Dep-U Fr= 1--      0.4770                 0.5142                 0.7050
 Alpha2 Fr= 1--      0.0026                 0.0014                 0.0004
 Beta2  Fr= 1--      0.0212                 0.0135                 0.0132
 AlphaG Fr= 1--     -0.0028                 0.0018                 0.0009
 Gamma2 Fr= 1--      0.1610                 0.0671                 0.0627
 Delta2 Fr= 1--      0.0306                -0.0185                -0.0544
 Raman1 Fr= 1--       1.066                  0.632                  0.450
 ROA1   Fr= 1--      16.433                  5.844                  4.276
 CID1   Fr= 1--      15.411                  9.242                  9.494
 Raman2 Fr= 1--       0.254                  0.163                  0.159
 ROA2   Fr= 1--       3.619                  1.757                  1.940
 CID2   Fr= 1--      14.232                 10.809                 12.216
 Raman3 Fr= 1--       0.509                  0.325                  0.318
 ROA3   Fr= 1--      16.433                  5.844                  4.276
 CID3   Fr= 1--      32.311                 17.974                 13.466
 RC180  Fr= 1--      -0.046                  0.028                  0.410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.02     0.02   0.04   0.01     0.01   0.00   0.02
     2   6    -0.01   0.00  -0.01     0.01   0.00  -0.03    -0.01   0.01   0.00
     3   6     0.00   0.01  -0.02     0.01  -0.02  -0.03    -0.01  -0.00  -0.01
     4   6     0.02  -0.00  -0.01     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     5   8     0.01  -0.00   0.00    -0.05  -0.00   0.02    -0.01  -0.01  -0.00
     6   6    -0.05   0.06  -0.01    -0.03   0.00  -0.02     0.02   0.02   0.00
     7   7     0.03  -0.00   0.02    -0.00  -0.03   0.02     0.00   0.00  -0.03
     8   8     0.04  -0.01   0.02     0.05   0.02   0.00     0.00  -0.01   0.01
     9   1    -0.00   0.01  -0.02     0.00  -0.01  -0.04    -0.01  -0.03  -0.01
    10   1    -0.02  -0.00   0.01     0.04  -0.01  -0.03    -0.01   0.01   0.00
    11   1     0.02  -0.01   0.03    -0.04   0.03   0.05    -0.01  -0.01   0.01
    12   1    -0.39   0.03  -0.15    -0.37  -0.02  -0.13    -0.20   0.04  -0.12
    13   1     0.08  -0.11   0.50     0.04  -0.10   0.45     0.03  -0.07   0.21
    14   1    -0.45   0.18  -0.03     0.25  -0.08  -0.02     0.31  -0.05  -0.03
    15   1     0.03  -0.30  -0.03    -0.12   0.29  -0.05    -0.04   0.30   0.03
    16   1     0.21   0.35   0.02    -0.25  -0.21   0.01    -0.17  -0.18   0.01
    17   1    -0.04   0.04  -0.02     0.12  -0.26   0.02    -0.07   0.45   0.00
    18   1     0.07  -0.09   0.04    -0.14   0.17  -0.22     0.21  -0.18   0.40
    19   1    -0.06  -0.12  -0.09     0.11   0.24   0.27    -0.11  -0.27  -0.32
                      7                      8                      9
                      A                      A                      A
 Frequencies --    277.7104               296.1279               345.7699
 Red. masses --      2.3911                 3.2290                 3.6382
 Frc consts  --      0.1087                 0.1668                 0.2563
 IR Inten    --      4.8778                 0.9278                 0.2552
 RamAct Fr= 1--      0.4747                 0.6489                 0.7774
  Dep-P Fr= 1--      0.2284                 0.3167                 0.4388
  Dep-U Fr= 1--      0.3718                 0.4811                 0.6100
 Alpha2 Fr= 1--      0.0060                 0.0063                 0.0050
 Beta2  Fr= 1--      0.0294                 0.0520                 0.0790
 AlphaG Fr= 1--     -0.0065                 0.0002                 0.0003
 Gamma2 Fr= 1--     -0.2914                 0.1118                 0.0549
 Delta2 Fr= 1--      0.0128                 0.0685                -0.0631
 Raman1 Fr= 1--       1.899                  2.596                  3.110
 ROA1   Fr= 1--     -27.563                 12.928                  3.249
 CID1   Fr= 1--     -14.515                  4.981                  1.045
 Raman2 Fr= 1--       0.353                  0.624                  0.948
 ROA2   Fr= 1--      -7.096                  2.135                  1.822
 CID2   Fr= 1--     -20.100                  3.420                  1.922
 Raman3 Fr= 1--       0.706                  1.249                  1.897
 ROA3   Fr= 1--     -27.563                 12.928                  3.249
 CID3   Fr= 1--     -39.036                 10.353                  1.713
 RC180  Fr= 1--      -0.256                 -0.038                  0.220
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03   0.01    -0.17   0.16  -0.08    -0.18   0.06  -0.10
     2   6     0.02  -0.02  -0.08    -0.06  -0.03   0.04    -0.03  -0.03   0.12
     3   6     0.00  -0.04  -0.04    -0.01  -0.04   0.03     0.05  -0.03  -0.01
     4   6    -0.01  -0.03  -0.03    -0.01   0.01   0.03     0.10  -0.01  -0.10
     5   8    -0.09  -0.04   0.04     0.08   0.00  -0.03     0.02  -0.03  -0.01
     6   6    -0.09   0.16  -0.08    -0.08   0.03   0.05    -0.05  -0.05   0.14
     7   7     0.05  -0.10   0.18     0.28  -0.07  -0.05    -0.14  -0.03   0.06
     8   8     0.04   0.02  -0.03    -0.07  -0.06   0.04     0.24   0.10  -0.08
     9   1    -0.01   0.11  -0.06    -0.05  -0.10   0.04     0.23  -0.01  -0.01
    10   1     0.08  -0.06  -0.03     0.01  -0.05   0.06    -0.04  -0.03   0.14
    11   1    -0.09   0.04   0.08     0.09  -0.09  -0.07     0.03   0.03   0.05
    12   1     0.45  -0.29   0.38     0.24   0.09  -0.10    -0.05  -0.17   0.13
    13   1     0.02  -0.04  -0.23     0.36  -0.33   0.07    -0.20   0.18  -0.10
    14   1    -0.11   0.21  -0.21     0.00   0.02   0.01    -0.03  -0.07   0.18
    15   1    -0.13   0.24  -0.12    -0.11   0.14   0.03    -0.07  -0.04   0.10
    16   1    -0.13   0.21   0.09    -0.15  -0.02   0.10    -0.09  -0.09   0.13
    17   1     0.11   0.20   0.00    -0.30   0.14  -0.07    -0.49   0.18  -0.09
    18   1     0.06  -0.02   0.18    -0.29   0.22  -0.14    -0.18   0.06  -0.11
    19   1     0.02  -0.03  -0.06     0.01   0.30  -0.17    -0.03   0.07  -0.40
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.8302               447.5626               579.5146
 Red. masses --      2.4333                 3.9923                 1.6063
 Frc consts  --      0.2269                 0.4712                 0.3178
 IR Inten    --      1.1885                 7.8298                62.4659
 RamAct Fr= 1--      0.6070                 1.4552                 1.0993
  Dep-P Fr= 1--      0.4045                 0.2240                 0.3401
  Dep-U Fr= 1--      0.5760                 0.3660                 0.5076
 Alpha2 Fr= 1--      0.0044                 0.0185                 0.0100
 Beta2  Fr= 1--      0.0583                 0.0888                 0.0930
 AlphaG Fr= 1--     -0.0094                 0.0032                -0.0088
 Gamma2 Fr= 1--      0.1761                 0.0487                -0.5435
 Delta2 Fr= 1--     -0.0030                -0.0771                -0.0793
 Raman1 Fr= 1--       2.428                  5.821                  4.397
 ROA1   Fr= 1--      16.807                  2.207                -54.718
 CID1   Fr= 1--       6.923                  0.379                -12.444
 Raman2 Fr= 1--       0.699                  1.065                  1.116
 ROA2   Fr= 1--       4.250                  1.786                -12.411
 CID2   Fr= 1--       6.078                  1.676                -11.121
 Raman3 Fr= 1--       1.399                  2.131                  2.232
 ROA3   Fr= 1--      16.807                  2.207                -54.718
 CID3   Fr= 1--      12.018                  1.036                -24.517
 RC180  Fr= 1--       0.152                 -0.268                  0.015
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.02   0.16    -0.05   0.01   0.06    -0.05  -0.00   0.02
     2   6    -0.16  -0.03  -0.02    -0.04  -0.18  -0.07    -0.02  -0.06  -0.02
     3   6    -0.06   0.05  -0.08    -0.03  -0.12   0.03     0.06   0.03   0.07
     4   6    -0.02   0.02  -0.10     0.04   0.06   0.13     0.08  -0.08   0.04
     5   8    -0.01  -0.05   0.00     0.23   0.13  -0.06    -0.02  -0.05   0.04
     6   6     0.15  -0.00  -0.04     0.00   0.04  -0.11    -0.01   0.01  -0.05
     7   7     0.05   0.01   0.02    -0.14  -0.15  -0.00     0.02   0.09  -0.01
     8   8     0.08  -0.01  -0.01    -0.01   0.12   0.06     0.01  -0.03  -0.04
     9   1     0.03   0.09  -0.09    -0.18  -0.15   0.03     0.03   0.05   0.07
    10   1    -0.17  -0.02  -0.01    -0.02  -0.18  -0.06    -0.09  -0.03  -0.06
    11   1     0.09  -0.13   0.18     0.14  -0.05  -0.37    -0.45   0.58  -0.49
    12   1     0.08  -0.05   0.05    -0.23  -0.13  -0.05    -0.04   0.20  -0.06
    13   1     0.08  -0.08   0.05    -0.21   0.07  -0.05     0.00   0.14  -0.03
    14   1     0.22   0.02  -0.16     0.03   0.13  -0.38    -0.01   0.05  -0.18
    15   1     0.33  -0.06   0.28     0.02   0.19   0.01    -0.00   0.07  -0.01
    16   1     0.34   0.07  -0.28     0.02   0.13   0.03     0.01   0.06   0.02
    17   1     0.10   0.04   0.15     0.10   0.13   0.05    -0.02   0.05   0.02
    18   1    -0.25   0.04   0.26    -0.26   0.04   0.23    -0.17   0.02   0.08
    19   1    -0.13   0.08   0.31     0.04   0.11   0.08     0.01   0.07   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    595.4457               661.8544               713.3014
 Red. masses --      1.9263                 2.9959                 3.2490
 Frc consts  --      0.4024                 0.7732                 0.9740
 IR Inten    --     31.9309                23.4973                24.9446
 RamAct Fr= 1--      1.9309                 2.0990                13.3460
  Dep-P Fr= 1--      0.3783                 0.3976                 0.0313
  Dep-U Fr= 1--      0.5489                 0.5690                 0.0608
 Alpha2 Fr= 1--      0.0154                 0.0157                 0.2755
 Beta2  Fr= 1--      0.1767                 0.1990                 0.1352
 AlphaG Fr= 1--     -0.0215                -0.0295                 0.1212
 Gamma2 Fr= 1--     -0.3488                -0.2428                -0.0269
 Delta2 Fr= 1--      0.4131                 0.0034                 0.0387
 Raman1 Fr= 1--       7.723                  8.396                 53.384
 ROA1   Fr= 1--     -20.264                -23.197                 -1.344
 CID1   Fr= 1--      -2.624                 -2.763                 -0.025
 Raman2 Fr= 1--       2.120                  2.388                  1.622
 ROA2   Fr= 1--     -11.675                 -5.853                 -0.955
 CID2   Fr= 1--      -5.508                 -2.451                 -0.589
 Raman3 Fr= 1--       4.240                  4.777                  3.244
 ROA3   Fr= 1--     -20.264                -23.197                 -1.344
 CID3   Fr= 1--      -4.780                 -4.856                 -0.414
 RC180  Fr= 1--       0.098                  0.138                 -0.878
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01     0.01  -0.00  -0.00    -0.11   0.01   0.05
     2   6    -0.05   0.18  -0.01     0.01  -0.04  -0.01    -0.05   0.17  -0.02
     3   6    -0.09  -0.03  -0.01    -0.05   0.00   0.20     0.10  -0.05   0.10
     4   6    -0.01  -0.06   0.06    -0.04  -0.12   0.08     0.20  -0.11   0.11
     5   8     0.05  -0.06  -0.04    -0.06  -0.11  -0.15    -0.04   0.12   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.00  -0.06    -0.02   0.03  -0.11
     7   7     0.01  -0.06   0.00     0.03   0.11  -0.01     0.01  -0.10   0.01
     8   8     0.06   0.08   0.02     0.09   0.14  -0.00    -0.03  -0.05  -0.12
     9   1    -0.18  -0.05  -0.01    -0.11   0.01   0.20    -0.03  -0.13   0.10
    10   1     0.03   0.14   0.04    -0.03  -0.01  -0.09    -0.06   0.17  -0.03
    11   1    -0.26   0.15  -0.59     0.24  -0.66   0.16     0.26  -0.01   0.59
    12   1     0.14  -0.13   0.07     0.01   0.42  -0.09    -0.09   0.07  -0.08
    13   1     0.08  -0.28   0.03     0.07  -0.02  -0.06    -0.07   0.10  -0.15
    14   1     0.04  -0.09   0.25    -0.05   0.05  -0.18     0.02  -0.05   0.07
    15   1     0.04  -0.12   0.01    -0.05   0.08  -0.08     0.02  -0.08  -0.09
    16   1     0.01  -0.10  -0.23    -0.03   0.06   0.10    -0.00  -0.07  -0.32
    17   1     0.03  -0.12   0.01     0.06   0.00  -0.00    -0.08  -0.10   0.05
    18   1     0.23  -0.06  -0.08    -0.03   0.00   0.03     0.07  -0.05  -0.01
    19   1    -0.19  -0.14   0.11     0.03   0.02   0.03    -0.29  -0.12   0.15
                     16                     17                     18
                      A                      A                      A
 Frequencies --    801.6191               859.5473               869.5482
 Red. masses --      1.8428                 2.3774                 2.8724
 Frc consts  --      0.6977                 1.0349                 1.2796
 IR Inten    --    181.7253                50.3793                 3.5335
 RamAct Fr= 1--      0.5422                 9.4801                 3.7761
  Dep-P Fr= 1--      0.0910                 0.0657                 0.2240
  Dep-U Fr= 1--      0.1668                 0.1232                 0.3661
 Alpha2 Fr= 1--      0.0097                 0.1804                 0.0481
 Beta2  Fr= 1--      0.0151                 0.1947                 0.2304
 AlphaG Fr= 1--      0.0053                -0.0165                 0.0042
 Gamma2 Fr= 1--      0.2246                -0.2214                 0.3812
 Delta2 Fr= 1--     -0.1247                -0.3681                 0.8005
 Raman1 Fr= 1--       2.169                 37.920                 15.104
 ROA1   Fr= 1--      17.573                -33.038                 62.217
 CID1   Fr= 1--       8.103                 -0.871                  4.119
 Raman2 Fr= 1--       0.181                  2.337                  2.765
 ROA2   Fr= 1--       6.388                 -2.370                  2.746
 CID2   Fr= 1--      35.321                 -1.014                  0.993
 Raman3 Fr= 1--       0.362                  4.673                  5.529
 ROA3   Fr= 1--      17.573                -33.038                 62.217
 CID3   Fr= 1--      48.584                 -7.070                 11.252
 RC180  Fr= 1--      -0.666                 -0.754                 -0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.09  -0.00  -0.07    -0.07  -0.04   0.05
     2   6     0.00  -0.05  -0.02    -0.08  -0.04  -0.08     0.05   0.03   0.00
     3   6    -0.04  -0.01  -0.06    -0.09   0.08  -0.11     0.20   0.01  -0.20
     4   6     0.10  -0.09   0.10     0.08  -0.08   0.09    -0.02  -0.06   0.15
     5   8    -0.01   0.05  -0.01    -0.01   0.02  -0.02    -0.05  -0.07  -0.06
     6   6    -0.00  -0.00   0.05    -0.02  -0.00   0.18     0.00   0.03  -0.02
     7   7    -0.06   0.13  -0.05     0.06  -0.07   0.06     0.05   0.03   0.02
     8   8    -0.02   0.01  -0.05    -0.01   0.01  -0.04    -0.08   0.08   0.08
     9   1    -0.18  -0.00  -0.06    -0.33   0.15  -0.12     0.14   0.02  -0.20
    10   1    -0.02  -0.06   0.02    -0.11  -0.03  -0.05    -0.02   0.01   0.13
    11   1     0.08  -0.01   0.15     0.02   0.03   0.06    -0.02  -0.35  -0.19
    12   1     0.38  -0.46   0.30    -0.27   0.34  -0.20    -0.12  -0.29   0.02
    13   1     0.16  -0.45   0.38    -0.09   0.30  -0.30    -0.10   0.52   0.04
    14   1     0.01   0.01   0.02     0.06   0.00   0.10     0.03  -0.05   0.17
    15   1     0.02   0.01   0.10     0.07   0.01   0.38     0.01  -0.10  -0.06
    16   1     0.02   0.03   0.08     0.05   0.01   0.07    -0.02  -0.07  -0.17
    17   1     0.02   0.06  -0.01     0.27   0.09  -0.09    -0.23   0.05   0.06
    18   1    -0.09   0.02   0.03    -0.06   0.01   0.07    -0.23   0.02   0.04
    19   1     0.09   0.06  -0.03     0.13   0.07  -0.01     0.09   0.06  -0.10
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.1728               957.8676               973.5137
 Red. masses --      1.1992                 2.1984                 1.4825
 Frc consts  --      0.6219                 1.1884                 0.8278
 IR Inten    --      0.7586                 9.7476                 0.0542
 RamAct Fr= 1--      0.7722                 5.4514                 2.1555
  Dep-P Fr= 1--      0.4216                 0.7371                 0.7334
  Dep-U Fr= 1--      0.5931                 0.8487                 0.8462
 Alpha2 Fr= 1--      0.0053                 0.0012                 0.0006
 Beta2  Fr= 1--      0.0763                 0.7711                 0.3040
 AlphaG Fr= 1--      0.0005                 0.0007                -0.0013
 Gamma2 Fr= 1--      0.3103                -1.6949                 0.3882
 Delta2 Fr= 1--      0.2743                -0.3671                 0.1009
 Raman1 Fr= 1--       3.089                 21.806                  8.622
 ROA1   Fr= 1--      38.572               -174.455                 40.498
 CID1   Fr= 1--      12.488                 -8.000                  4.697
 Raman2 Fr= 1--       0.916                  9.253                  3.648
 ROA2   Fr= 1--       5.254                -37.741                  8.511
 CID2   Fr= 1--       5.735                 -4.079                  2.333
 Raman3 Fr= 1--       1.832                 18.506                  7.296
 ROA3   Fr= 1--      38.572               -174.455                 40.498
 CID3   Fr= 1--      21.055                 -9.427                  5.551
 RC180  Fr= 1--       0.186                  0.697                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.04     0.07   0.01  -0.12    -0.12   0.04  -0.02
     2   6     0.04  -0.00  -0.02    -0.15   0.03  -0.05     0.04   0.02  -0.09
     3   6    -0.03  -0.00   0.02     0.17  -0.07   0.10     0.04   0.00  -0.02
     4   6    -0.00   0.01  -0.02    -0.04   0.04  -0.02    -0.00   0.00   0.01
     5   8     0.00   0.00   0.00    -0.01  -0.03  -0.00    -0.01  -0.01  -0.00
     6   6     0.06   0.06  -0.00    -0.06   0.02   0.06     0.07  -0.05   0.09
     7   7    -0.00  -0.00   0.00    -0.02   0.01  -0.04     0.00  -0.00  -0.01
     8   8     0.01  -0.01  -0.01    -0.01   0.00   0.03    -0.01   0.01   0.01
     9   1    -0.07   0.01   0.02     0.30  -0.11   0.11     0.05  -0.00  -0.02
    10   1    -0.13  -0.05   0.32    -0.36   0.10  -0.07     0.12   0.05  -0.28
    11   1     0.00   0.03   0.02    -0.01  -0.08  -0.04    -0.01  -0.03  -0.02
    12   1    -0.00   0.06  -0.01     0.08  -0.25   0.08    -0.00  -0.09   0.01
    13   1     0.01  -0.04  -0.01    -0.01   0.03   0.15    -0.01   0.05   0.02
    14   1    -0.10  -0.06   0.46     0.07  -0.01   0.02    -0.14   0.08  -0.10
    15   1    -0.10  -0.15  -0.43     0.08  -0.01   0.33    -0.09   0.15  -0.14
    16   1    -0.14  -0.15   0.03     0.06   0.02  -0.18    -0.03   0.09   0.56
    17   1     0.32   0.17  -0.06     0.52   0.14  -0.15     0.23  -0.11  -0.03
    18   1    -0.34  -0.03   0.29    -0.07  -0.01   0.15     0.14  -0.09   0.08
    19   1     0.04   0.11   0.13    -0.01   0.07   0.15    -0.47  -0.17   0.29
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1052.0243              1124.7188              1137.4624
 Red. masses --      1.7242                 2.3281                 2.8156
 Frc consts  --      1.1243                 1.7352                 2.1463
 IR Inten    --      8.3746                 6.7812               260.5224
 RamAct Fr= 1--      3.4255                 7.4541                 1.4057
  Dep-P Fr= 1--      0.4441                 0.5573                 0.5881
  Dep-U Fr= 1--      0.6150                 0.7158                 0.7407
 Alpha2 Fr= 1--      0.0215                 0.0273                 0.0042
 Beta2  Fr= 1--      0.3511                 0.8892                 0.1735
 AlphaG Fr= 1--      0.0102                -0.0075                -0.0109
 Gamma2 Fr= 1--      0.4213                 0.7237                 0.5857
 Delta2 Fr= 1--      0.0409                 0.4594                -0.1526
 Raman1 Fr= 1--      13.702                 29.816                  5.623
 ROA1   Fr= 1--      41.757                 84.173                 51.342
 CID1   Fr= 1--       3.048                  2.823                  9.131
 Raman2 Fr= 1--       4.214                 10.671                  2.082
 ROA2   Fr= 1--       9.786                 13.693                 15.277
 CID2   Fr= 1--       2.322                  1.283                  7.337
 Raman3 Fr= 1--       8.427                 21.341                  4.165
 ROA3   Fr= 1--      41.757                 84.173                 51.342
 CID3   Fr= 1--       4.955                  3.944                 12.328
 RC180  Fr= 1--       0.230                  0.432                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.02     0.06   0.07  -0.08    -0.01  -0.06   0.02
     2   6     0.01   0.09   0.02    -0.12  -0.01   0.22     0.01   0.08  -0.05
     3   6     0.01   0.15   0.02    -0.05   0.02  -0.09    -0.00  -0.11  -0.02
     4   6     0.01  -0.00   0.02     0.01  -0.07   0.05    -0.14  -0.18  -0.04
     5   8    -0.01  -0.02  -0.01     0.00   0.04   0.01     0.03   0.18   0.13
     6   6     0.04  -0.06  -0.01     0.05  -0.07  -0.11     0.00  -0.02   0.03
     7   7    -0.02  -0.13  -0.04     0.03   0.02   0.02     0.01   0.06   0.03
     8   8    -0.01   0.01   0.01    -0.01   0.01  -0.01     0.05  -0.03  -0.06
     9   1     0.14   0.06   0.03     0.34  -0.21  -0.05     0.32   0.12  -0.05
    10   1    -0.45   0.30  -0.22    -0.20  -0.05   0.41     0.01   0.10  -0.15
    11   1    -0.01   0.00   0.00    -0.00  -0.08  -0.08    -0.01  -0.56  -0.45
    12   1     0.04  -0.12  -0.01    -0.05  -0.07   0.01     0.01   0.25  -0.02
    13   1     0.02  -0.29   0.00    -0.02   0.14  -0.04     0.04  -0.03  -0.07
    14   1    -0.10   0.06  -0.20    -0.15   0.05  -0.28    -0.03   0.02  -0.05
    15   1    -0.06   0.13  -0.11    -0.08   0.09  -0.29    -0.00   0.06   0.06
    16   1     0.01   0.10   0.33    -0.05   0.01   0.22     0.03   0.04   0.08
    17   1    -0.12   0.13   0.02     0.33  -0.01  -0.09    -0.08   0.09   0.01
    18   1    -0.27   0.05   0.04     0.25  -0.03   0.01    -0.22   0.02   0.04
    19   1     0.33   0.17  -0.14    -0.11  -0.03   0.12     0.16   0.08  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1168.6297              1199.7763              1239.8922
 Red. masses --      1.4293                 1.9225                 1.8982
 Frc consts  --      1.1500                 1.6305                 1.7194
 IR Inten    --      5.0577                 5.2905                21.6030
 RamAct Fr= 1--      3.0760                 1.9120                 2.8566
  Dep-P Fr= 1--      0.4844                 0.6441                 0.7016
  Dep-U Fr= 1--      0.6526                 0.7835                 0.8246
 Alpha2 Fr= 1--      0.0163                 0.0036                 0.0024
 Beta2  Fr= 1--      0.3346                 0.2497                 0.3926
 AlphaG Fr= 1--     -0.0624                 0.0001                -0.0066
 Gamma2 Fr= 1--     -0.5193                -0.7315                 0.3837
 Delta2 Fr= 1--      0.6034                -0.1337                 0.1661
 Raman1 Fr= 1--      12.304                  7.648                 11.426
 ROA1   Fr= 1--     -30.540                -74.500                 42.154
 CID1   Fr= 1--      -2.482                 -9.741                  3.689
 Raman2 Fr= 1--       4.015                  2.996                  4.711
 ROA2   Fr= 1--     -17.290                -16.485                  7.881
 CID2   Fr= 1--      -4.306                 -5.502                  1.673
 Raman3 Fr= 1--       8.030                  5.992                  9.422
 ROA3   Fr= 1--     -30.540                -74.500                 42.154
 CID3   Fr= 1--      -3.803                -12.433                  4.474
 RC180  Fr= 1--       0.305                  0.567                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.02    -0.08  -0.07  -0.08    -0.02   0.03  -0.02
     2   6     0.03  -0.09   0.01     0.17   0.09   0.09     0.06  -0.06   0.03
     3   6     0.04   0.10  -0.01    -0.04  -0.00  -0.03    -0.01   0.18   0.09
     4   6     0.01  -0.04   0.03     0.01   0.01  -0.00    -0.04  -0.04  -0.02
     5   8    -0.01   0.01   0.01     0.00  -0.01  -0.01    -0.02   0.05   0.05
     6   6    -0.03   0.04  -0.00    -0.11  -0.07  -0.02    -0.04   0.02  -0.01
     7   7    -0.06  -0.06  -0.02    -0.00   0.00   0.02     0.04  -0.06  -0.07
     8   8    -0.02   0.01   0.01    -0.01   0.01   0.01     0.04  -0.03  -0.05
     9   1     0.51   0.48  -0.05    -0.00  -0.08  -0.02    -0.37  -0.05   0.12
    10   1     0.12  -0.12   0.05     0.27   0.05   0.13     0.03  -0.06   0.05
    11   1    -0.01  -0.10  -0.07     0.01   0.09   0.07    -0.04  -0.35  -0.27
    12   1     0.06   0.26  -0.05    -0.00   0.08  -0.00    -0.06  -0.58   0.02
    13   1     0.06  -0.44  -0.06     0.02  -0.07  -0.03    -0.07   0.35   0.12
    14   1     0.08  -0.04   0.13     0.16  -0.01  -0.40     0.10  -0.04   0.03
    15   1     0.04  -0.09   0.06     0.05   0.09   0.37     0.03  -0.06   0.08
    16   1    -0.01  -0.05  -0.20     0.18   0.15  -0.19     0.02   0.01  -0.13
    17   1     0.09  -0.07  -0.02     0.29   0.14  -0.10     0.07  -0.06  -0.02
    18   1     0.15  -0.04   0.01    -0.29  -0.09   0.31     0.07  -0.03   0.05
    19   1    -0.16  -0.05   0.07    -0.05   0.10   0.23    -0.12  -0.05   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1298.8007              1319.8077              1359.7613
 Red. masses --      1.3076                 1.4133                 1.4408
 Frc consts  --      1.2996                 1.4505                 1.5696
 IR Inten    --      0.4988                10.9367                11.6669
 RamAct Fr= 1--      8.8731                 5.9841                 3.0821
  Dep-P Fr= 1--      0.4299                 0.5242                 0.6693
  Dep-U Fr= 1--      0.6013                 0.6879                 0.8019
 Alpha2 Fr= 1--      0.0589                 0.0263                 0.0044
 Beta2  Fr= 1--      0.8893                 0.6861                 0.4119
 AlphaG Fr= 1--     -0.0071                 0.0358                 0.0194
 Gamma2 Fr= 1--     -0.2641                 0.7040                 0.0539
 Delta2 Fr= 1--     -0.7810                -0.8121                 0.3436
 Raman1 Fr= 1--      35.492                 23.937                 12.328
 ROA1   Fr= 1--     -50.342                 41.601                 16.173
 CID1   Fr= 1--      -1.418                  1.738                  1.312
 Raman2 Fr= 1--      10.671                  8.233                  4.943
 ROA2   Fr= 1--      -0.089                 23.393                 -1.454
 CID2   Fr= 1--      -0.008                  2.842                 -0.294
 Raman3 Fr= 1--      21.342                 16.465                  9.886
 ROA3   Fr= 1--     -50.342                 41.601                 16.173
 CID3   Fr= 1--      -2.359                  2.527                  1.636
 RC180  Fr= 1--       0.203                  0.376                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.01  -0.02   0.01     0.01  -0.07  -0.01
     2   6     0.02  -0.03  -0.01    -0.06   0.05  -0.04    -0.12   0.04   0.02
     3   6    -0.10   0.04   0.01     0.01   0.00   0.05     0.00   0.04   0.02
     4   6    -0.03  -0.08   0.00    -0.08  -0.10  -0.02     0.07   0.08   0.02
     5   8     0.03   0.01  -0.02     0.04   0.01  -0.02    -0.04  -0.02   0.01
     6   6    -0.01   0.05   0.00     0.01  -0.04  -0.00     0.03   0.00  -0.01
     7   7     0.03   0.01  -0.00     0.02  -0.02  -0.05    -0.01  -0.01  -0.00
     8   8    -0.01   0.02   0.02    -0.00   0.03   0.02    -0.00  -0.02  -0.02
     9   1     0.57  -0.41   0.07     0.04   0.53  -0.01     0.07  -0.08   0.04
    10   1     0.13   0.06  -0.44     0.35  -0.20   0.38     0.81  -0.18  -0.20
    11   1     0.04   0.30   0.21     0.06   0.38   0.28    -0.04  -0.26  -0.19
    12   1    -0.05  -0.19   0.01    -0.01  -0.22  -0.01     0.00  -0.02   0.00
    13   1    -0.02   0.18   0.00    -0.03   0.20   0.09    -0.00  -0.03   0.00
    14   1     0.05  -0.03   0.18    -0.07   0.01  -0.09    -0.10   0.03   0.03
    15   1     0.04  -0.09   0.02    -0.02   0.10   0.02    -0.01   0.04  -0.06
    16   1    -0.05  -0.03  -0.07     0.02   0.03   0.11    -0.05  -0.04   0.06
    17   1     0.02   0.00  -0.01    -0.04   0.06   0.00     0.06   0.16  -0.03
    18   1    -0.06  -0.01   0.02    -0.07   0.02  -0.03    -0.12  -0.01  -0.01
    19   1     0.03   0.01  -0.02     0.04   0.00  -0.02     0.16   0.09  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1383.7294              1406.7049              1426.9729
 Red. masses --      1.4250                 1.2556                 1.3023
 Frc consts  --      1.6075                 1.4639                 1.5624
 IR Inten    --     10.3827                 7.6586                 2.5922
 RamAct Fr= 1--      1.4925                 0.1324                 0.3499
  Dep-P Fr= 1--      0.7126                 0.6915                 0.6178
  Dep-U Fr= 1--      0.8322                 0.8176                 0.7637
 Alpha2 Fr= 1--      0.0010                 0.0001                 0.0008
 Beta2  Fr= 1--      0.2070                 0.0180                 0.0445
 AlphaG Fr= 1--      0.0019                -0.0013                 0.0074
 Gamma2 Fr= 1--     -0.7277                 0.0392                -0.0572
 Delta2 Fr= 1--      0.0114                 0.0262                 0.0055
 Raman1 Fr= 1--       5.970                  0.530                  1.400
 ROA1   Fr= 1--     -69.493                  4.603                 -5.314
 CID1   Fr= 1--     -11.641                  8.692                 -3.797
 Raman2 Fr= 1--       2.484                  0.217                  0.535
 ROA2   Fr= 1--     -17.556                  0.731                 -1.417
 CID2   Fr= 1--      -7.068                  3.376                 -2.651
 Raman3 Fr= 1--       4.968                  0.433                  1.069
 ROA3   Fr= 1--     -69.493                  4.603                 -5.314
 CID3   Fr= 1--     -13.988                 10.630                 -4.971
 RC180  Fr= 1--       0.664                  0.635                  0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.04    -0.10  -0.02   0.06    -0.07  -0.01   0.02
     2   6     0.02   0.03  -0.15     0.01   0.00  -0.04    -0.01  -0.01   0.03
     3   6    -0.05   0.04   0.02     0.01   0.02   0.01     0.06   0.02  -0.02
     4   6     0.05   0.04   0.02    -0.01  -0.01  -0.00    -0.04  -0.03  -0.02
     5   8    -0.02  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.02  -0.04  -0.01     0.00  -0.01   0.08    -0.01  -0.00  -0.11
     7   7     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.00   0.01
     8   8    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.01
     9   1     0.39  -0.39   0.08     0.02  -0.13   0.02    -0.22  -0.12  -0.01
    10   1    -0.05  -0.18   0.64    -0.00  -0.04   0.12     0.05  -0.00  -0.05
    11   1    -0.03  -0.14  -0.11     0.00   0.02   0.01     0.01   0.08   0.06
    12   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.01   0.10  -0.00
    13   1    -0.00  -0.01  -0.02     0.00  -0.02  -0.02     0.01  -0.09  -0.04
    14   1     0.04  -0.08   0.08     0.02   0.11  -0.30     0.02  -0.19   0.44
    15   1     0.05   0.09   0.22    -0.15  -0.02  -0.25     0.20   0.06   0.37
    16   1     0.06   0.14   0.20     0.08  -0.08  -0.27    -0.07   0.18   0.41
    17   1    -0.11  -0.02   0.04     0.46   0.09   0.01     0.29   0.05  -0.01
    18   1    -0.05   0.07  -0.10     0.37  -0.08  -0.29     0.26  -0.09  -0.12
    19   1    -0.05  -0.09  -0.08     0.29   0.20  -0.31     0.19   0.17  -0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1438.1467              1487.0332              1497.5999
 Red. masses --      1.6555                 1.0428                 1.0518
 Frc consts  --      2.0174                 1.3587                 1.3899
 IR Inten    --     22.4839                 0.7311                 1.9572
 RamAct Fr= 1--      1.6682                 7.1779                 0.6493
  Dep-P Fr= 1--      0.7095                 0.7499                 0.7490
  Dep-U Fr= 1--      0.8301                 0.8571                 0.8565
 Alpha2 Fr= 1--      0.0012                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2308                 1.0254                 0.0927
 AlphaG Fr= 1--      0.0088                -0.0008                 0.0004
 Gamma2 Fr= 1--     -0.8316                 0.5654                -0.1544
 Delta2 Fr= 1--      0.6759                -0.0823                -0.0421
 Raman1 Fr= 1--       6.673                 28.712                  2.597
 ROA1   Fr= 1--     -58.207                 51.649                -16.169
 CID1   Fr= 1--      -8.723                  1.799                 -6.225
 Raman2 Fr= 1--       2.770                 12.304                  1.112
 ROA2   Fr= 1--     -25.366                 14.229                 -3.369
 CID2   Fr= 1--      -9.159                  1.156                 -3.029
 Raman3 Fr= 1--       5.539                 24.609                  2.224
 ROA3   Fr= 1--     -58.207                 51.649                -16.169
 CID3   Fr= 1--     -10.508                  2.099                 -7.269
 RC180  Fr= 1--       0.660                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.02     0.01  -0.04   0.01     0.02   0.00   0.02
     2   6     0.04   0.01   0.02     0.00  -0.00  -0.00    -0.02  -0.01   0.03
     3   6    -0.13  -0.11   0.03     0.00   0.00  -0.00     0.01   0.00  -0.01
     4   6     0.09   0.09   0.04    -0.01  -0.00   0.00    -0.00  -0.01  -0.00
     5   8    -0.03  -0.02   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.01   0.01  -0.04    -0.01   0.03  -0.00    -0.04  -0.01   0.00
     7   7     0.04   0.00  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.02  -0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.30   0.62  -0.04    -0.01  -0.01  -0.00    -0.05   0.02  -0.01
    10   1    -0.20   0.13  -0.13    -0.03  -0.00   0.04     0.04   0.01  -0.09
    11   1    -0.03  -0.16  -0.12     0.00   0.01   0.01     0.00   0.01   0.01
    12   1    -0.03  -0.21  -0.01     0.00   0.02  -0.00     0.03   0.05  -0.00
    13   1    -0.05   0.33   0.10    -0.00  -0.00  -0.00    -0.00  -0.00   0.02
    14   1     0.07  -0.07   0.12     0.26   0.01  -0.20     0.40  -0.18   0.15
    15   1     0.07  -0.03   0.12     0.11  -0.43  -0.00    -0.18   0.06  -0.30
    16   1    -0.03   0.07   0.15    -0.19  -0.06   0.21     0.35   0.40   0.03
    17   1     0.21   0.03   0.00    -0.10   0.55  -0.02     0.20   0.07   0.00
    18   1     0.12  -0.03  -0.10     0.07   0.07  -0.39    -0.28   0.18  -0.24
    19   1     0.12   0.07  -0.13    -0.12   0.01   0.34    -0.17  -0.28  -0.18
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.4797              1511.2743              1639.1403
 Red. masses --      1.0438                 1.0547                 1.1061
 Frc consts  --      1.3976                 1.4193                 1.7510
 IR Inten    --     13.5017                 5.3070                59.5376
 RamAct Fr= 1--      1.9017                 4.7032                 1.6402
  Dep-P Fr= 1--      0.7237                 0.7366                 0.7498
  Dep-U Fr= 1--      0.8397                 0.8483                 0.8570
 Alpha2 Fr= 1--      0.0009                 0.0011                 0.0000
 Beta2  Fr= 1--      0.2661                 0.6650                 0.2343
 AlphaG Fr= 1--     -0.0028                 0.0026                -0.0001
 Gamma2 Fr= 1--     -0.2976                -0.0375                -0.8157
 Delta2 Fr= 1--     -0.0171                 0.0234                -0.4284
 Raman1 Fr= 1--       7.607                 18.813                  6.561
 ROA1   Fr= 1--     -29.121                 -2.852                -92.012
 CID1   Fr= 1--      -3.828                 -0.152                -14.025
 Raman2 Fr= 1--       3.194                  7.980                  2.811
 ROA2   Fr= 1--      -7.006                 -1.088                -16.149
 CID2   Fr= 1--      -2.194                 -0.136                 -5.744
 Raman3 Fr= 1--       6.387                 15.960                  5.623
 ROA3   Fr= 1--     -29.121                 -2.852                -92.012
 CID3   Fr= 1--      -4.559                 -0.179                -16.364
 RC180  Fr= 1--       0.679                  0.697                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.02    -0.01   0.01  -0.03    -0.00   0.00  -0.00
     2   6     0.01  -0.03  -0.01    -0.03   0.01  -0.02     0.00  -0.00   0.00
     3   6    -0.01  -0.00   0.00     0.00  -0.01   0.00    -0.01   0.01  -0.02
     4   6     0.01   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00  -0.03   0.00    -0.03   0.01   0.02     0.00   0.00   0.00
     7   7     0.00   0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.02
     9   1     0.03   0.01  -0.00     0.03  -0.00   0.00     0.01  -0.09  -0.01
    10   1    -0.07  -0.00  -0.03     0.04  -0.03   0.03     0.00  -0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.02   0.01
    12   1    -0.01  -0.02  -0.00    -0.02  -0.01  -0.01     0.55   0.45   0.10
    13   1    -0.01   0.03  -0.00    -0.00   0.01  -0.01    -0.11   0.38   0.55
    14   1    -0.17  -0.05   0.26     0.45  -0.12  -0.04    -0.01   0.01  -0.01
    15   1    -0.15   0.47  -0.07    -0.08  -0.24  -0.25     0.00  -0.01   0.00
    16   1     0.28   0.15  -0.24     0.14   0.25   0.17    -0.01  -0.02  -0.01
    17   1    -0.23   0.37  -0.01    -0.25  -0.21   0.00    -0.01  -0.01  -0.00
    18   1     0.25  -0.07  -0.14     0.27  -0.21   0.37     0.03  -0.02   0.02
    19   1     0.02   0.19   0.41     0.23   0.31   0.14     0.02   0.02   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1811.5255              3024.6683              3028.2226
 Red. masses --      8.6278                 1.0488                 1.0685
 Frc consts  --     16.6816                 5.6532                 5.7728
 IR Inten    --    261.2511                14.6575                22.7514
 RamAct Fr= 1--     15.0692               105.0270                56.8756
  Dep-P Fr= 1--      0.1770                 0.0613                 0.4071
  Dep-U Fr= 1--      0.3007                 0.1156                 0.5787
 Alpha2 Fr= 1--      0.2174                 2.0192                 0.4106
 Beta2  Fr= 1--      0.7552                 2.0230                 5.4855
 AlphaG Fr= 1--     -0.0374                 0.0394                -0.1450
 Gamma2 Fr= 1--     -0.0928                 5.6654                 8.1975
 Delta2 Fr= 1--      0.3796                 4.5178                 8.5759
 Raman1 Fr= 1--      60.277                420.108                227.503
 ROA1   Fr= 1--       3.234                688.446               1061.394
 CID1   Fr= 1--       0.054                  1.639                  4.665
 Raman2 Fr= 1--       9.063                 24.276                 65.826
 ROA2   Fr= 1--      -5.265                 99.827                128.134
 CID2   Fr= 1--      -0.581                  4.112                  1.947
 Raman3 Fr= 1--      18.126                 48.553                131.652
 ROA3   Fr= 1--       3.234                688.446               1061.394
 CID3   Fr= 1--       0.178                 14.179                  8.062
 RC180  Fr= 1--      -0.399                 -0.769                  0.157
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.04  -0.02   0.01     0.02   0.00  -0.01
     2   6     0.01  -0.01   0.00     0.01   0.03   0.01     0.01   0.04   0.01
     3   6     0.05   0.01  -0.03     0.00  -0.00  -0.03     0.00  -0.01  -0.05
     4   6    -0.40   0.25   0.48     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.03  -0.03  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.01
     7   7    -0.00   0.02   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8     0.23  -0.18  -0.30    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.18   0.04  -0.02    -0.01   0.04   0.34    -0.01   0.08   0.65
    10   1     0.01  -0.01  -0.00    -0.10  -0.33  -0.10    -0.14  -0.46  -0.14
    11   1     0.04   0.35   0.26     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1    -0.21  -0.13  -0.04     0.00   0.00  -0.01     0.00   0.00  -0.01
    13   1     0.04  -0.19  -0.19    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.01  -0.03  -0.01     0.06   0.22   0.07
    15   1    -0.02   0.04  -0.01     0.06   0.01  -0.02    -0.10  -0.03   0.04
    16   1     0.03   0.01  -0.04    -0.06   0.05  -0.02     0.08  -0.09   0.04
    17   1     0.00   0.01  -0.00    -0.03  -0.03  -0.45     0.02   0.01   0.28
    18   1    -0.01   0.01  -0.00     0.20   0.57   0.17    -0.09  -0.25  -0.07
    19   1    -0.02  -0.01   0.01     0.24  -0.26   0.12    -0.18   0.19  -0.09
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3034.6402              3036.6854              3083.0582
 Red. masses --      1.0833                 1.0376                 1.0995
 Frc consts  --      5.8776                 5.6374                 6.1577
 IR Inten    --     18.3501                18.2707                22.4982
 RamAct Fr= 1--    139.7808               196.2307                37.8349
  Dep-P Fr= 1--      0.1302                 0.0140                 0.3995
  Dep-U Fr= 1--      0.2304                 0.0277                 0.5709
 Alpha2 Fr= 1--      2.2712                 4.2199                 0.2808
 Beta2  Fr= 1--      5.3682                 0.9049                 3.6001
 AlphaG Fr= 1--     -0.1284                -0.1718                -0.0479
 Gamma2 Fr= 1--    -17.3605                 0.5785                 0.0832
 Delta2 Fr= 1--    -18.8886                 0.3860                 1.6729
 Raman1 Fr= 1--     559.123                784.923                151.339
 ROA1   Fr= 1--   -2271.043                 67.892                 61.516
 CID1   Fr= 1--      -4.062                  0.086                  0.406
 Raman2 Fr= 1--      64.419                 10.859                 43.202
 ROA2   Fr= 1--    -265.543                 10.797                -11.387
 CID2   Fr= 1--      -4.122                  0.994                 -0.264
 Raman3 Fr= 1--     128.837                 21.718                 86.403
 ROA3   Fr= 1--   -2271.043                 67.892                 61.516
 CID3   Fr= 1--     -17.627                  3.126                  0.712
 RC180  Fr= 1--      -0.539                 -0.945                  0.142
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01    -0.01  -0.00   0.01     0.00  -0.08  -0.04
     2   6    -0.02  -0.05  -0.02    -0.01  -0.02  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.01  -0.05     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.01  -0.05    -0.00   0.03  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01   0.07   0.65     0.00  -0.01  -0.07     0.00   0.00   0.04
    10   1     0.20   0.66   0.19     0.06   0.19   0.05     0.04   0.14   0.04
    11   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   1    -0.05  -0.16  -0.05     0.16   0.54   0.17    -0.06  -0.19  -0.06
    15   1     0.02   0.01  -0.01    -0.45  -0.12   0.21    -0.06  -0.01   0.03
    16   1    -0.01   0.01  -0.01     0.37  -0.36   0.17     0.13  -0.12   0.06
    17   1    -0.01  -0.00  -0.12    -0.01  -0.01  -0.15     0.03   0.00   0.47
    18   1    -0.03  -0.09  -0.02     0.04   0.12   0.03     0.23   0.61   0.17
    19   1     0.06  -0.06   0.03     0.08  -0.08   0.04    -0.31   0.29  -0.15
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.2549              3096.8361              3103.1467
 Red. masses --      1.1014                 1.1008                 1.1018
 Frc consts  --      6.2131                 6.2202                 6.2509
 IR Inten    --     25.6173                42.6576                25.2564
 RamAct Fr= 1--     36.3453               105.6668                56.2094
  Dep-P Fr= 1--      0.5731                 0.6069                 0.7470
  Dep-U Fr= 1--      0.7286                 0.7554                 0.8552
 Alpha2 Fr= 1--      0.1211                 0.2788                 0.0028
 Beta2  Fr= 1--      4.4136                13.3030                 8.0117
 AlphaG Fr= 1--     -0.0328                -0.1785                -0.0304
 Gamma2 Fr= 1--     -9.9700                17.5422                -8.1186
 Delta2 Fr= 1--    -10.9514                13.8162                -2.0666
 Raman1 Fr= 1--     145.381                422.667                224.838
 ROA1   Fr= 1--   -1307.561               2126.166               -845.513
 CID1   Fr= 1--      -8.994                  5.030                 -3.761
 Raman2 Fr= 1--      52.963                159.636                 96.141
 ROA2   Fr= 1--    -151.668                310.482               -178.312
 CID2   Fr= 1--      -2.864                  1.945                 -1.855
 Raman3 Fr= 1--     105.926                319.273                192.281
 ROA3   Fr= 1--   -1307.561               2126.166               -845.513
 CID3   Fr= 1--     -12.344                  6.659                 -4.397
 RC180  Fr= 1--       0.457                  0.511                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.05     0.04  -0.04   0.05    -0.00   0.00  -0.01
     2   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.01  -0.07   0.00    -0.00  -0.05   0.00    -0.09  -0.01   0.01
     7   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.03    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    10   1     0.04   0.13   0.04     0.03   0.11   0.03     0.01   0.04   0.01
    11   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.15   0.47   0.16     0.12   0.39   0.13     0.05   0.23   0.08
    15   1     0.07   0.00  -0.03     0.15   0.03  -0.07     0.73   0.19  -0.35
    16   1    -0.37   0.34  -0.17    -0.26   0.23  -0.12     0.32  -0.32   0.16
    17   1     0.02   0.03   0.50    -0.02  -0.03  -0.44     0.00   0.00   0.06
    18   1     0.05   0.15   0.03     0.04   0.08   0.04     0.01   0.02   0.00
    19   1     0.24  -0.25   0.10    -0.44   0.44  -0.20     0.05  -0.05   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.5648              3597.2549              3726.9170
 Red. masses --      1.0482                 1.0939                 1.0640
 Frc consts  --      7.6069                 8.3401                 8.7078
 IR Inten    --      5.3770                 8.9865                67.6812
 RamAct Fr= 1--     84.1427                25.9358               120.0506
  Dep-P Fr= 1--      0.0549                 0.6614                 0.2259
  Dep-U Fr= 1--      0.1041                 0.7962                 0.3686
 Alpha2 Fr= 1--      1.6428                 0.0410                 1.5207
 Beta2  Fr= 1--      1.4595                 3.4418                 7.3744
 AlphaG Fr= 1--     -0.5675                -0.0175                -0.0590
 Gamma2 Fr= 1--     -1.7042                -2.8097                -2.4546
 Delta2 Fr= 1--     -0.0852                 0.7207                -0.0869
 Raman1 Fr= 1--     336.571                103.743                480.202
 ROA1   Fr= 1--    -166.327               -246.665               -238.422
 CID1   Fr= 1--      -0.494                 -2.378                 -0.497
 Raman2 Fr= 1--      17.514                 41.302                 88.493
 ROA2   Fr= 1--     -40.219                -73.198                -58.215
 CID2   Fr= 1--      -2.296                 -1.772                 -0.658
 Raman3 Fr= 1--      35.028                 82.603                176.985
 ROA3   Fr= 1--    -166.327               -246.665               -238.422
 CID3   Fr= 1--      -4.748                 -2.986                 -1.347
 RC180  Fr= 1--      -0.792                  0.592                 -0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   7    -0.02  -0.03  -0.04    -0.07  -0.01   0.04    -0.00   0.00  -0.00
     8   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.00
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.88   0.27  -0.39
    12   1    -0.32   0.18   0.69     0.22  -0.14  -0.56    -0.00  -0.00   0.00
    13   1     0.59   0.18  -0.05     0.75   0.22  -0.04     0.00   0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   613.791301254.597031341.77734
           X            0.99999   0.00236   0.00262
           Y           -0.00222   0.99879  -0.04914
           Z           -0.00274   0.04914   0.99879
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14111     0.06904     0.06455
 Rotational constants (GHZ):           2.94032     1.43850     1.34504
 Zero-point vibrational energy     431031.1 (Joules/Mol)
                                  103.01890 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     80.52   121.30   254.70   311.00   318.98
          (Kelvin)            354.66   399.56   426.06   497.49   572.39
                              643.94   833.79   856.71   952.26  1026.28
                             1153.35  1236.70  1251.09  1349.82  1378.16
                             1400.67  1513.63  1618.22  1636.55  1681.40
                             1726.21  1783.93  1868.68  1898.91  1956.39
                             1990.88  2023.93  2053.10  2069.17  2139.51
                             2154.71  2168.93  2174.39  2358.36  2606.38
                             4351.82  4356.94  4366.17  4369.11  4435.83
                             4451.94  4455.66  4464.74  5049.48  5175.65
                             5362.20
 
 Zero-point correction=                           0.164171 (Hartree/Particle)
 Thermal correction to Energy=                    0.173670
 Thermal correction to Enthalpy=                  0.174614
 Thermal correction to Gibbs Free Energy=         0.129974
 Sum of electronic and zero-point Energies=           -402.405553
 Sum of electronic and thermal Energies=              -402.396054
 Sum of electronic and thermal Enthalpies=            -402.395110
 Sum of electronic and thermal Free Energies=         -402.439750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.979             34.465             93.953
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.426
 Vibrational            107.202             28.503             25.339
 Vibration     1          0.596              1.975              4.595
 Vibration     2          0.601              1.960              3.788
 Vibration     3          0.628              1.871              2.360
 Vibration     4          0.645              1.816              1.991
 Vibration     5          0.648              1.808              1.945
 Vibration     6          0.661              1.769              1.755
 Vibration     7          0.679              1.715              1.548
 Vibration     8          0.690              1.681              1.439
 Vibration     9          0.724              1.584              1.185
 Vibration    10          0.764              1.475              0.971
 Vibration    11          0.807              1.366              0.803
 Vibration    12          0.936              1.076              0.486
 Vibration    13          0.953              1.041              0.458
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.164498D-59        -59.783840       -137.657378
 Total V=0       0.536470D+16         15.729545         36.218616
 Vib (Bot)       0.907904D-73        -73.041960       -168.185329
 Vib (Bot)    1  0.369148D+01          0.567200          1.306027
 Vib (Bot)    2  0.244115D+01          0.387595          0.892471
 Vib (Bot)    3  0.113575D+01          0.055284          0.127297
 Vib (Bot)    4  0.916549D+00         -0.037844         -0.087140
 Vib (Bot)    5  0.891556D+00         -0.049851         -0.114787
 Vib (Bot)    6  0.793079D+00         -0.100684         -0.231833
 Vib (Bot)    7  0.693143D+00         -0.159177         -0.366519
 Vib (Bot)    8  0.643603D+00         -0.191382         -0.440673
 Vib (Bot)    9  0.535048D+00         -0.271607         -0.625398
 Vib (Bot)   10  0.448731D+00         -0.348014         -0.801332
 Vib (Bot)   11  0.383914D+00         -0.415766         -0.957335
 Vib (Bot)   12  0.263075D+00         -0.579920         -1.335315
 Vib (Bot)   13  0.251943D+00         -0.598697         -1.378552
 Vib (V=0)       0.296091D+03          2.471425          5.690665
 Vib (V=0)    1  0.422519D+01          0.625846          1.441064
 Vib (V=0)    2  0.299183D+01          0.475937          1.095886
 Vib (V=0)    3  0.174094D+01          0.240784          0.554427
 Vib (V=0)    4  0.154406D+01          0.188664          0.434416
 Vib (V=0)    5  0.152219D+01          0.182469          0.420150
 Vib (V=0)    6  0.143754D+01          0.157619          0.362930
 Vib (V=0)    7  0.135466D+01          0.131831          0.303552
 Vib (V=0)    8  0.131500D+01          0.118926          0.273837
 Vib (V=0)    9  0.123231D+01          0.090720          0.208890
 Vib (V=0)   10  0.117183D+01          0.068866          0.158569
 Vib (V=0)   11  0.113039D+01          0.053228          0.122562
 Vib (V=0)   12  0.106499D+01          0.027344          0.062961
 Vib (V=0)   13  0.105989D+01          0.025260          0.058164
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.363872D+06          5.560948         12.804557
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1     111111111111 11111  1                                   
     7    5  5        10000000                                         8     655444443332 22111  0 99988 8  7 6 55   4 33222221      
     2    9  1        09983322                                         1     310983208629 40632  5 75376 0  1 6 98   4 94974217   85 
     7    7  0        37437585                                         2     917878774009 00975  2 48800 2  3 2 50   8 86686267   46 
 
     X    X  X        XXXXXXXX                                         X     XXXXXXXXXXXX XXXXX  X XXXXX X  X X XX   X XXXXXXXX   XX 
     X                XXXX  X                                          X     X    X       X  X         X X  X X XX                   
     X                 X                                               X     X               X         X X       X                   
     X                                                                 X     X               X         X X       X                   
     X                                                                 X     X               X           X       X                   
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010902    0.000003247    0.000002748
      2        6          -0.000001761    0.000003346   -0.000018613
      3        6           0.000025816   -0.000035831   -0.000001968
      4        6          -0.000006568    0.000030933    0.000028732
      5        8           0.000003535   -0.000024682   -0.000013830
      6        6           0.000004683    0.000009912    0.000000725
      7        7          -0.000012633    0.000005944    0.000007436
      8        8           0.000011734   -0.000001518   -0.000012042
      9        1          -0.000010085    0.000001010   -0.000007752
     10        1           0.000001913    0.000001058   -0.000003017
     11        1          -0.000000502    0.000003243   -0.000002535
     12        1           0.000001190    0.000007078    0.000007434
     13        1           0.000002658   -0.000001507    0.000002639
     14        1           0.000001806   -0.000001639    0.000004452
     15        1          -0.000002569   -0.000001573    0.000001601
     16        1          -0.000001941   -0.000002012    0.000005113
     17        1          -0.000000577    0.000000462   -0.000001362
     18        1          -0.000001047    0.000001892   -0.000000938
     19        1          -0.000004750    0.000000640    0.000001175
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035831 RMS     0.000010402
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.877478D+02  0.121199D+00 -0.251648D+01
      2   0.121199D+00  0.772214D+02  0.198713D+01
      3  -0.251648D+01  0.198713D+01  0.752905D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.248842D+01  0.102943D+01 -0.108552D+01
      2   0.609687D+01 -0.684387D+01  0.308191D+02
      3   0.718021D+01 -0.259721D+02  0.820014D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.737941D+02 -0.245687D+02  0.194634D+01
      2  -0.411926D+02  0.251270D+02 -0.936791D+01
      3  -0.326015D+02 -0.558292D+00  0.742157D+01
      4  -0.253462D+02  0.459174D+02 -0.181236D+02
      5   0.100373D+02 -0.207804D+02  0.619596D+02
      6  -0.466123D+01  0.114974D+01 -0.649668D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.592523D+00  0.231311D+01 -0.347718D+01  0.372410D+01 -0.443413D+01
      2   0.231311D+01 -0.392691D+01  0.125914D+00 -0.443413D+01 -0.254694D+01
      3  -0.347718D+01  0.125914D+00  0.118555D+01 -0.702620D-01 -0.200696D+01
                 6             7             8             9            10 
      1  -0.702620D-01 -0.464395D+01  0.515638D+00 -0.832148D-01  0.155654D+01
      2  -0.200696D+01  0.515638D+00 -0.230917D+01  0.354485D+00 -0.269022D+01
      3   0.442437D+00 -0.832148D-01  0.354485D+00  0.702976D+01  0.416735D+01
                11            12            13            14            15 
      1  -0.269022D+01  0.416735D+01 -0.605248D+01  0.422326D+01  0.284923D+00
      2   0.403182D+01  0.308886D+00  0.422326D+01  0.401892D+01  0.283559D+01
      3   0.308886D+00 -0.404371D+00  0.284923D+00  0.283559D+01  0.110926D+00
                16            17            18            19            20 
      1   0.653306D+01 -0.370924D+00  0.114770D-01 -0.408331D+01  0.436668D+01
      2  -0.370924D+00  0.317775D+01  0.253426D+00  0.436668D+01 -0.224657D+01
      3   0.114770D-01  0.253426D+00 -0.521310D+01 -0.127249D+01  0.556704D+00
                21            22            23            24            25 
      1  -0.127249D+01  0.674863D+01 -0.136472D+01 -0.301810D+00 -0.345836D+01
      2   0.556704D+00 -0.136472D+01 -0.561259D+00 -0.231046D+00  0.640889D+00
      3  -0.458917D+00 -0.301810D+00 -0.231046D+00  0.182615D+01 -0.686455D+00
                26            27            28            29            30 
      1   0.640889D+00 -0.686455D+00  0.105801D+01 -0.261445D+01 -0.101192D+01
      2  -0.248532D+01  0.223052D+01 -0.261445D+01  0.339066D+00  0.175406D+01
      3   0.223052D+01  0.629393D+01 -0.101192D+01  0.175406D+01  0.382063D+00
                31            32            33            34            35 
      1  -0.356716D+01 -0.858105D-01  0.196458D+01 -0.429690D+01  0.168195D+01
      2  -0.858105D-01 -0.399292D+00  0.584921D+00  0.168195D+01 -0.234044D+00
      3   0.196458D+01  0.584921D+00 -0.131644D+01  0.180416D+01 -0.960979D+00
                36            37            38            39            40 
      1   0.180416D+01  0.489062D+01  0.171140D+01 -0.173624D+01  0.282936D+00
      2  -0.960979D+00  0.171140D+01  0.185619D+01 -0.789275D+00  0.118734D+00
      3  -0.310977D+01 -0.173624D+01 -0.789275D+00  0.344657D+00 -0.100950D+01
                41            42            43            44            45 
      1   0.118734D+00 -0.100950D+01 -0.356245D+01 -0.183331D+01 -0.106606D+01
      2  -0.318997D+01 -0.172281D+01 -0.183331D+01 -0.225404D+01 -0.155046D+01
      3  -0.172281D+01 -0.740308D+00 -0.106606D+01 -0.155046D+01 -0.277498D+01
                46            47            48            49            50 
      1   0.135090D+01  0.306853D+01 -0.433617D+01  0.305574D+01 -0.331924D+01
      2   0.306853D+01 -0.310338D+01  0.147199D+00 -0.331924D+01 -0.250743D+01
      3  -0.433617D+01  0.147199D+00  0.770099D+00  0.398752D-01 -0.321332D+01
                51            52            53            54            55 
      1   0.398752D-01 -0.357318D+01 -0.320778D-01  0.376556D+00 -0.366716D+01
      2  -0.321332D+01 -0.320778D-01 -0.260536D+01 -0.131707D+00 -0.742062D+00
      3   0.264083D+00  0.376556D+00 -0.131707D+00  0.370673D+01  0.175361D-01
                56            57            58            59            60 
      1  -0.742062D+00  0.175361D-01 -0.193780D+01 -0.559045D+00  0.110587D+00
      2  -0.219215D-02 -0.258744D+00 -0.559045D+00  0.448476D+01 -0.161779D+01
      3  -0.258744D+00  0.148453D+01  0.110587D+00 -0.161779D+01 -0.140255D+01
                61            62            63            64            65 
      1  -0.113336D+00 -0.773282D+00  0.823914D+00 -0.626375D+01  0.235383D+01
      2  -0.773282D+00 -0.497060D+00 -0.515950D+00  0.235383D+01 -0.178541D+01
      3   0.823914D+00 -0.515950D+00 -0.367608D+01  0.295985D+01 -0.139204D+01
                66            67            68            69            70 
      1   0.295985D+01  0.415636D+01 -0.203402D+01 -0.119249D+01  0.607747D+01
      2  -0.139204D+01 -0.203402D+01  0.391988D+01  0.183636D+01 -0.928290D+00
      3  -0.191512D+01 -0.119249D+01  0.183636D+01  0.179223D+01 -0.303955D+01
                71            72            73            74            75 
      1  -0.928290D+00 -0.303955D+01  0.605643D+00 -0.765389D+00 -0.103387D+01
      2   0.246379D+01  0.208869D+01 -0.765389D+00  0.475206D+00 -0.468983D-02
      3   0.208869D+01  0.626314D+01 -0.103387D+01 -0.468983D-02  0.290826D+00
                76            77            78            79            80 
      1  -0.119467D+01  0.218110D+00  0.912840D-01 -0.133060D+01 -0.953076D-01
      2   0.218110D+00 -0.162816D+00 -0.125089D+01 -0.953076D-01 -0.160418D+01
      3   0.912840D-01 -0.125089D+01 -0.754222D+00  0.206106D+00 -0.850290D+00
                81            82            83            84            85 
      1   0.206106D+00 -0.122865D+01 -0.942926D+00 -0.993913D+00 -0.110906D+01
      2  -0.850290D+00 -0.942926D+00 -0.150870D+01 -0.133203D+00 -0.124937D+01
      3  -0.875894D+01 -0.993913D+00 -0.133203D+00 -0.437458D+00 -0.836887D-01
                86            87            88            89            90 
      1  -0.124937D+01 -0.836887D-01 -0.130925D+01 -0.116333D+00 -0.170349D+00
      2  -0.780046D+01 -0.158628D+01 -0.116333D+00 -0.175827D+01 -0.155850D+01
      3  -0.158628D+01 -0.162682D+01 -0.170349D+00 -0.155850D+01 -0.527401D+00
                91            92            93            94            95 
      1  -0.758947D+01 -0.364336D+01  0.240944D+00 -0.219900D+01 -0.185540D+01
      2  -0.364336D+01 -0.290890D+01 -0.895613D-02 -0.185540D+01 -0.225767D+01
      3   0.240944D+00 -0.895613D-02 -0.111643D+01  0.170879D+00  0.121970D-03
                96            97            98            99           100 
      1   0.170879D+00  0.254747D+01  0.141719D+01 -0.996639D+00 -0.114609D+01
      2   0.121970D-03  0.141719D+01  0.113441D+01 -0.575410D+00  0.146006D+00
      3  -0.596887D+00 -0.996639D+00 -0.575410D+00  0.341574D+00  0.507853D+00
               101           102           103           104           105 
      1   0.146006D+00  0.507853D+00  0.465458D+00 -0.327479D+00 -0.120483D+00
      2  -0.149987D+01 -0.283465D+00 -0.327479D+00  0.160498D+01  0.842227D+00
      3  -0.283465D+00 -0.187932D+01 -0.120483D+00  0.842227D+00  0.193880D+01
               106           107           108           109           110 
      1   0.158110D+01 -0.500748D-01 -0.951682D+00  0.582599D+01  0.225068D+01
      2  -0.500748D-01  0.223076D+01  0.184256D+01  0.225068D+01  0.257248D+01
      3  -0.951682D+00  0.184256D+01  0.398894D+01 -0.375489D+00  0.174107D+00
               111           112           113           114           115 
      1  -0.375489D+00  0.238804D+01  0.110252D+01  0.378227D+00 -0.885325D+00
      2   0.174107D+00  0.110252D+01  0.200411D+01 -0.549921D-01  0.329665D+00
      3   0.686299D+00  0.378227D+00 -0.549921D-01  0.773072D+00  0.240813D+00
               116           117           118           119           120 
      1   0.329665D+00  0.240813D+00  0.923890D+00  0.661106D+00  0.109108D+01
      2  -0.555318D+00  0.556793D+00  0.661106D+00  0.136664D+01  0.506318D+00
      3   0.556793D+00 -0.372521D+00  0.109108D+01  0.506318D+00  0.867726D+00
               121           122           123           124           125 
      1   0.134164D+01  0.125367D+01  0.879771D+00  0.839513D+00  0.378540D+00
      2   0.125367D+01  0.491487D+01  0.193213D+01  0.378540D+00  0.164709D+01
      3   0.879771D+00  0.193213D+01  0.294775D+01  0.474544D+00  0.136108D+01
               126           127           128           129           130 
      1   0.474544D+00 -0.494298D+01 -0.120133D+01  0.234689D+01 -0.121550D+01
      2   0.136108D+01 -0.120133D+01 -0.104989D+01  0.899596D+00 -0.529790D+00
      3   0.163521D+01  0.234689D+01  0.899596D+00 -0.330705D+01  0.517591D+00
               131           132           133           134           135 
      1  -0.529790D+00  0.517591D+00  0.202545D+01  0.516742D+00 -0.182480D+01
      2  -0.696889D+00  0.116229D+01  0.516742D+00  0.944376D+00 -0.696893D+00
      3   0.116229D+01 -0.101051D+01 -0.182480D+01 -0.696893D+00  0.259858D+01
               136           137           138           139           140 
      1   0.384487D+01 -0.248832D+01  0.245569D+01 -0.278134D+01  0.246139D+01
      2  -0.248832D+01  0.251485D+01 -0.138908D+01  0.246139D+01 -0.316345D+01
      3   0.245569D+01 -0.138908D+01  0.232966D+01 -0.142031D+01  0.222675D+01
               141           142           143           144           145 
      1  -0.142031D+01  0.145849D+01 -0.920457D+00  0.151158D+01  0.823512D-01
      2   0.222675D+01 -0.920457D+00  0.149163D+01 -0.147817D+01 -0.191411D+00
      3  -0.235140D+01  0.151158D+01 -0.147817D+01  0.190858D+01 -0.636064D+00
               146           147           148           149           150 
      1  -0.191411D+00 -0.636064D+00 -0.492033D+00  0.705732D+00  0.663189D-01
      2   0.220050D+00 -0.220145D-02  0.705732D+00 -0.115347D-01 -0.859598D+00
      3  -0.220145D-02 -0.130640D+00  0.663189D-01 -0.859598D+00 -0.412680D+00
               151           152           153           154           155 
      1  -0.195286D+01  0.129478D+00  0.186345D+01  0.207656D+01  0.143708D+01
      2   0.129478D+00 -0.112709D+01 -0.323646D+00  0.143708D+01  0.207532D+01
      3   0.186345D+01 -0.323646D+00 -0.946810D+01  0.415164D+00  0.893717D-01
               156           157           158           159           160 
      1   0.415164D+00  0.318202D+01  0.235743D+01 -0.144669D+00  0.146857D+01
      2   0.893717D-01  0.235743D+01  0.533530D+01  0.563939D+00  0.348329D+00
      3   0.446142D+00 -0.144669D+00  0.563939D+00  0.127086D+01  0.517899D+00
               161           162           163           164           165 
      1   0.348329D+00  0.517899D+00  0.611353D+01 -0.302898D+01  0.670974D+00
      2   0.121956D+01  0.750107D+00 -0.302898D+01  0.258021D+01 -0.300495D+00
      3   0.750107D+00 -0.123682D-01  0.670974D+00 -0.300495D+00  0.861767D+00
               166           167           168           169           170 
      1  -0.479587D+01  0.331815D+01 -0.160825D+00  0.259509D+01 -0.838370D+00
      2   0.331815D+01 -0.298509D+01  0.559361D+00 -0.838370D+00  0.112048D+01
      3  -0.160825D+00  0.559361D+00 -0.115448D+01  0.988242D+00 -0.795669D+00
               171 
      1   0.988242D+00
      2  -0.795669D+00
      3   0.146796D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.340463D+01  0.347580D+01  0.502206D+00  0.449983D+01  0.138570D+01
      2  -0.841792D+01  0.215145D+01  0.110997D+01  0.321516D+01 -0.911744D+01
      3  -0.667305D+01  0.866392D+01  0.132804D+01  0.160278D+02  0.103060D+02
                 6             7             8             9            10 
      1  -0.419639D+00  0.627856D+00  0.321804D+01  0.123407D+01  0.349525D+01
      2   0.764324D+00 -0.833837D+01  0.129172D+01  0.206555D+02  0.751164D+01
      3   0.424899D+01 -0.107228D+01  0.628947D+01 -0.109664D+01  0.975841D+00
                11            12            13            14            15 
      1  -0.927318D+00 -0.821935D-01 -0.835219D+00  0.408967D+01 -0.495760D+01
      2  -0.139065D+01  0.407856D+01 -0.397104D+01  0.423292D+01 -0.215205D+00
      3  -0.361056D+01 -0.183302D+01  0.183934D+01 -0.113788D+02 -0.311085D+01
                16            17            18            19            20 
      1  -0.605970D+00  0.168910D+01 -0.297282D+01 -0.264443D+01 -0.567266D+00
      2  -0.242586D+01  0.961273D+00 -0.517233D+01 -0.185085D+01  0.220879D+01
      3  -0.942100D+00 -0.235573D+01 -0.715870D+00  0.768039D+01 -0.563187D+01
                21            22            23            24            25 
      1  -0.137389D+01  0.234299D+01 -0.246994D+00  0.288302D+01 -0.292875D+01
      2   0.190271D+01  0.565636D+01 -0.162794D+01  0.230895D+01 -0.744073D+01
      3   0.674412D+00  0.930825D+00  0.106637D+01 -0.108556D+01 -0.211886D+01
                26            27            28            29            30 
      1   0.492232D+01 -0.246630D+01  0.154486D+01  0.358995D+01  0.218030D+01
      2   0.102773D+01 -0.167678D+01 -0.561257D+01 -0.178785D+01 -0.479564D+01
      3   0.156822D+01  0.420899D+00 -0.973940D+01  0.262095D+01 -0.156232D+01
                31            32            33            34            35 
      1   0.126088D+00 -0.844242D+01 -0.715886D+00  0.715592D+00  0.200404D+01
      2   0.281819D+01  0.185720D+01  0.986753D-01 -0.995299D+01  0.304970D+00
      3   0.391968D+01  0.427397D+01 -0.198148D+01 -0.578694D+01 -0.677134D+01
                36            37            38            39            40 
      1   0.706379D+01 -0.299898D+01 -0.712567D+00 -0.514958D+00 -0.124164D+00
      2   0.921043D+01  0.591096D+01  0.278223D+01  0.835518D+00 -0.236557D+01
      3  -0.202361D+01 -0.651477D+00 -0.746791D+00  0.818845D+00  0.554831D+01
                41            42            43            44            45 
      1   0.258313D+01 -0.437686D+01  0.264135D+01  0.353445D+01 -0.317196D+01
      2   0.246616D+01  0.213446D+01 -0.483657D+01  0.135817D+01  0.591596D+01
      3  -0.771525D+01 -0.229052D+01  0.246675D+01 -0.250936D+01 -0.284728D+01
                46            47            48            49            50 
      1   0.278143D+01 -0.567531D+01  0.521782D+00 -0.597489D+01 -0.749719D+01
      2  -0.100149D+02 -0.597195D+01  0.128742D+02 -0.424129D+01  0.161272D+01
      3  -0.510978D+01  0.220396D+00  0.200138D+01  0.446042D+01  0.578051D+01
                51            52            53            54            55 
      1  -0.956494D+01 -0.217119D+00 -0.364887D+01  0.317074D+01  0.130023D+01
      2  -0.233933D+00  0.591587D+01  0.209963D+00  0.282436D+01 -0.219222D+01
      3   0.394043D+01  0.197900D+01  0.333196D+01  0.156463D+00 -0.134117D+02
                56            57            58            59            60 
      1   0.282530D+01 -0.315265D+01  0.514662D+00 -0.248513D+01 -0.333248D+01
      2   0.105499D+00  0.247716D+01 -0.849932D+00 -0.260627D+00 -0.142961D+01
      3  -0.731224D+01 -0.550478D+00  0.496171D+01 -0.392313D+00  0.594943D+00
                61            62            63            64            65 
      1  -0.222290D+01  0.703781D+01  0.103595D+02 -0.697108D+00 -0.307327D+01
      2  -0.177694D+01 -0.197983D+00  0.107346D+01 -0.176656D+01  0.250037D+01
      3  -0.233272D+01 -0.219026D+01  0.362524D+01  0.253745D+01 -0.835166D+01
                66            67            68            69            70 
      1   0.103721D+01  0.736481D+00  0.277383D+01 -0.314906D+01 -0.918684D-01
      2   0.934936D+01  0.930419D+00 -0.487828D+01 -0.340098D+01  0.142504D+01
      3  -0.832089D+00  0.712039D+00  0.610621D+01  0.372634D+01  0.386686D+01
                71            72            73            74            75 
      1   0.503244D+01 -0.251146D+01  0.408792D+00 -0.388853D+00  0.249617D+00
      2  -0.352315D+01 -0.140065D+02  0.669147D+00 -0.592573D+00 -0.131918D-01
      3   0.747720D+01  0.350708D+01 -0.205898D+00 -0.183899D+00 -0.406399D+00
                76            77            78            79            80 
      1  -0.664572D+00  0.769563D+00 -0.184976D+00  0.373212D+00  0.367291D+01
      2  -0.105436D+01  0.168327D+00 -0.333323D+00 -0.441734D+01 -0.498643D-01
      3   0.162626D+01 -0.169150D+00 -0.158805D+00  0.537369D+00 -0.191929D+00
                81            82            83            84            85 
      1   0.158398D+01 -0.118666D+01  0.789428D-01 -0.610994D+00 -0.282463D+00
      2   0.515298D+00 -0.164522D+01 -0.257248D+00  0.145708D+00 -0.545189D+00
      3  -0.573159D-02  0.340196D+01  0.141649D+01  0.108255D+01  0.578073D+01
                86            87            88            89            90 
      1   0.402563D+00 -0.407712D+01 -0.852733D-01  0.355556D+00 -0.347844D+00
      2  -0.153197D+01 -0.133991D+01 -0.199243D+01 -0.160549D+01 -0.436100D+00
      3   0.866493D+01  0.194838D+01  0.199184D+01  0.173125D+01  0.177219D+01
                91            92            93            94            95 
      1   0.332525D+01  0.193215D+01 -0.180559D+01  0.193316D+01  0.179591D+01
      2  -0.545647D+01 -0.281365D+01  0.370237D+01 -0.243689D+01 -0.180414D+01
      3   0.169900D+01 -0.358686D+01 -0.650821D+00  0.177490D+00 -0.195541D+01
                96            97            98            99           100 
      1  -0.886348D+00 -0.174316D+01 -0.676816D+00  0.123665D+01 -0.168221D+01
      2   0.151109D+01  0.288159D+01  0.162157D+01 -0.233406D+01  0.566389D+00
      3   0.124449D+00  0.129186D+00  0.184553D+01 -0.230179D+00 -0.261737D+01
               101           102           103           104           105 
      1  -0.209010D+00  0.474193D+01 -0.146710D+00 -0.179274D+01 -0.519380D+01
      2   0.554780D+00  0.728023D-01  0.402406D+00  0.133688D+00  0.501677D-01
      3  -0.935085D+00  0.141911D+01  0.580246D+00 -0.811272D+00 -0.197278D+00
               106           107           108           109           110 
      1   0.275579D+01 -0.299935D+01 -0.120001D+02 -0.658679D+00 -0.165863D+01
      2  -0.238319D+01  0.521460D-01 -0.116212D+01  0.253680D+01  0.532684D+00
      3   0.495000D+01 -0.255254D+00 -0.312812D+01  0.168106D+02  0.162070D+01
               111           112           113           114           115 
      1  -0.254805D+01 -0.148195D+01 -0.705052D+00 -0.152891D+01 -0.483512D+00
      2   0.194576D+01  0.718307D+00  0.398879D+00  0.117264D+01 -0.965680D+00
      3  -0.396947D+00  0.493733D+01  0.163782D+01  0.104820D+01 -0.172147D+01
               116           117           118           119           120 
      1   0.207712D+00 -0.453786D+00  0.190981D+01  0.298914D+01  0.107244D+01
      2   0.496711D+00  0.599500D-01  0.218123D+00 -0.530865D+00  0.539317D+00
      3   0.817402D+00  0.379263D-01 -0.649113D+00 -0.287821D+01 -0.102032D+01
               121           122           123           124           125 
      1   0.250773D+01  0.131790D+02  0.277053D+01  0.136747D+01  0.506737D+01
      2  -0.247311D+01  0.246432D+00  0.320876D+01 -0.222014D+01  0.870958D+00
      3   0.133145D+00 -0.813098D+01 -0.236254D+01 -0.537062D+00 -0.191157D+01
               126           127           128           129           130 
      1   0.311148D+01 -0.240400D+00 -0.247229D+01 -0.128207D+01 -0.864481D+00
      2   0.108735D+01  0.154195D+02  0.310476D+01 -0.578174D+01  0.279431D+01
      3  -0.214220D+01  0.536833D+01  0.106380D+00 -0.197608D+01  0.233136D+01
               131           132           133           134           135 
      1  -0.515700D-01  0.307602D+00 -0.330081D+00  0.257716D+01  0.540695D+00
      2   0.215757D+01 -0.167758D+01 -0.815520D+01 -0.189504D+01  0.536138D+01
      3   0.651644D+00 -0.147451D+01 -0.192568D+01 -0.506071D+00  0.191992D+01
               136           137           138           139           140 
      1  -0.260541D+01  0.463851D+01  0.424722D+00  0.342164D+01 -0.454530D+01
      2  -0.407919D+01  0.248236D+01  0.123402D+01  0.396085D+01 -0.132128D+01
      3  -0.266884D+00 -0.331346D+01  0.304606D+00  0.371037D+00  0.326705D+01
               141           142           143           144           145 
      1   0.400518D+00 -0.650725D+00  0.286318D+01 -0.599973D+00 -0.160353D+00
      2  -0.155382D+01 -0.269406D+01  0.104594D+00  0.365535D+00 -0.225184D+01
      3  -0.201920D+01 -0.509773D+00 -0.190819D+01  0.775598D+00  0.718135D+00
               146           147           148           149           150 
      1  -0.128544D+00 -0.625430D-01 -0.529651D+00 -0.340616D+00 -0.268341D+00
      2  -0.124297D+00  0.350335D+00 -0.292466D+00 -0.113550D+01 -0.925978D+00
      3  -0.127968D+01  0.285325D+00 -0.844618D+00 -0.638125D+00  0.185707D+01
               151           152           153           154           155 
      1   0.461842D+00  0.390457D+01 -0.277641D+01 -0.110433D+01 -0.175900D+01
      2  -0.718998D+00 -0.695862D+00 -0.234608D+02  0.269514D+01  0.162009D+01
      3   0.514354D+00  0.318762D+01  0.337239D+00 -0.458590D+01 -0.690380D+01
               156           157           158           159           160 
      1  -0.855291D+00 -0.181427D+01 -0.397928D+01 -0.253951D+01 -0.321709D+00
      2   0.247009D+01  0.161332D+01  0.414903D+01  0.455595D+01  0.970984D+00
      3  -0.434231D+00 -0.412362D+01 -0.183597D+02 -0.221379D+01 -0.457877D+00
               161           162           163           164           165 
      1   0.275471D+00 -0.978620D+00  0.261756D+01 -0.195774D+01  0.155801D+01
      2   0.222237D+01  0.694200D+00  0.650132D+01 -0.358146D+01  0.515189D+01
      3  -0.410864D+01 -0.204249D+01  0.465796D+01 -0.852781D+01  0.754849D+00
               166           167           168           169           170 
      1  -0.210550D+01  0.211444D+01 -0.281541D+01  0.798837D+00 -0.424022D+00
      2  -0.387949D+01  0.425425D+01 -0.469467D+01  0.324740D+01 -0.261606D+01
      3  -0.549183D+01  0.785773D+01 -0.185379D+01  0.969384D+00 -0.354031D+01
               171 
      1   0.971943D+00
      2   0.174479D+01
      3   0.167958D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.192161D+01  0.124509D+02 -0.181880D+02  0.138273D+02 -0.271730D+02
      2  -0.759392D+01 -0.428793D+01  0.847763D+01 -0.461573D+01  0.835491D+01
      3   0.567231D+01 -0.816293D+01  0.971038D+01 -0.921156D+01  0.188181D+02
      4   0.157796D+02 -0.236353D+02  0.281407D+01 -0.319418D+02 -0.105850D+02
      5  -0.195703D+02 -0.688648D+00  0.702397D+01 -0.161422D+01 -0.797611D+01
      6   0.598820D+00  0.281901D+01 -0.883916D+00  0.228672D+01  0.392642D+01
                 6             7             8             9            10 
      1  -0.474527D+00 -0.222214D+02  0.270548D+01  0.129844D+02 -0.110677D+02
      2   0.145601D+01  0.720135D+01  0.192037D+00  0.811712D+01  0.127047D+01
      3  -0.981487D+00  0.150200D+02 -0.289751D+01 -0.211015D+02  0.979728D+01
      4  -0.998178D+01  0.519821D+01 -0.126285D+02  0.234220D+01 -0.517552D+01
      5   0.108619D+01  0.304624D+01  0.154618D+01  0.298690D+02  0.161031D+02
      6   0.172619D+01  0.240939D+00  0.199492D+01 -0.720303D+01 -0.447007D+01
                11            12            13            14            15 
      1  -0.259423D+01  0.137692D+02 -0.303586D+01  0.184729D+02  0.400599D+01
      2   0.343430D+00 -0.941052D+01  0.368182D+00 -0.217368D+02 -0.604588D+01
      3   0.225080D+01 -0.435871D+01  0.266767D+01  0.326388D+01  0.203990D+01
      4   0.824335D+01 -0.231297D+01  0.178512D+02  0.278946D+01  0.454116D+01
      5   0.584674D+00 -0.279072D+01  0.818629D+00  0.474233D+01 -0.424504D-01
      6   0.274860D-01  0.698763D+00  0.439938D+00 -0.941869D+01  0.352486D+01
                16            17            18            19            20 
      1   0.177016D+02  0.781117D+00  0.294910D+01 -0.465630D+01 -0.570263D+00
      2  -0.852787D+01 -0.351797D+01 -0.965636D+00  0.840249D+01 -0.410402D+01
      3  -0.917377D+01  0.273686D+01 -0.198346D+01 -0.374619D+01  0.467428D+01
      4  -0.434771D+01  0.524709D+01  0.134583D+01 -0.149809D+01 -0.120160D+01
      5  -0.183002D+01  0.159670D+01 -0.127822D+02 -0.476625D+01 -0.101039D+01
      6  -0.142966D+00 -0.258389D+01  0.471504D+01  0.958094D+00  0.104481D+01
                21            22            23            24            25 
      1  -0.244551D+01  0.345651D+01  0.164015D+01  0.630190D+00 -0.827998D+01
      2   0.449914D+01 -0.453111D+01 -0.328622D+01  0.391973D+01  0.463905D+01
      3  -0.205364D+01  0.107459D+01  0.164607D+01 -0.454992D+01  0.364093D+01
      4   0.636923D+00 -0.117442D+02  0.415811D+01 -0.221083D+01  0.317024D+01
      5   0.174674D+01  0.102781D+01  0.666822D+00  0.460783D+01  0.269299D+01
      6  -0.582376D+00 -0.321290D+01  0.511490D+01 -0.820098D+01 -0.117457D+01
                26            27            28            29            30 
      1   0.794938D+01  0.799862D+01 -0.709827D+01  0.965028D+01 -0.258410D+00
      2  -0.485431D+01  0.172963D+02  0.354159D+01 -0.741700D+01 -0.339580D+01
      3  -0.309508D+01 -0.252949D+02  0.355668D+01 -0.223328D+01  0.365421D+01
      4   0.695727D+00 -0.173089D+01  0.816642D+01 -0.833097D+01 -0.815950D+01
      5  -0.730707D+00  0.560275D+00  0.720979D+01 -0.754049D+01 -0.123846D+02
      6   0.576254D+01 -0.198129D+01 -0.528785D+01  0.175989D+01 -0.265977D+01
                31            32            33            34            35 
      1   0.137990D+02  0.373387D+01 -0.458129D+01  0.150289D+02 -0.263457D+01
      2  -0.774863D+01 -0.606149D+01  0.861972D+01 -0.842946D+01 -0.334340D+01
      3  -0.605037D+01  0.232762D+01 -0.403843D+01 -0.659948D+01  0.597796D+01
      4  -0.487524D+01 -0.255579D+01 -0.773922D+00 -0.108970D+02  0.740013D+01
      5  -0.161439D+02 -0.121242D+00 -0.299406D+01 -0.116261D+02  0.841757D+00
      6  -0.314090D+01 -0.635710D+01 -0.220590D+01 -0.113034D+01 -0.175838D+01
                36            37            38            39            40 
      1  -0.732046D+01 -0.171714D+02 -0.832846D+01  0.758179D+01 -0.696198D+01
      2   0.561362D+01  0.332817D+01  0.352831D+01 -0.461609D+01  0.288377D+01
      3   0.170684D+01  0.138432D+02  0.480016D+01 -0.296570D+01  0.407821D+01
      4   0.341724D+01 -0.145072D+02 -0.400213D+01  0.634830D+01  0.494726D+01
      5   0.151025D+02  0.770665D+01  0.382943D+01  0.741303D+01  0.798171D+01
      6  -0.558205D+01  0.560491D+01  0.218924D+01  0.159401D+01  0.570202D+01
                41            42            43            44            45 
      1  -0.156671D+02 -0.843472D+00  0.126164D+02  0.122761D+01 -0.417606D+01
      2   0.207146D+02  0.140942D+00 -0.515867D+01  0.257731D+01 -0.387487D+01
      3  -0.504753D+01  0.702530D+00 -0.745774D+01 -0.380493D+01  0.805093D+01
      4   0.145635D+02  0.758872D+01  0.138486D+02  0.111639D+02  0.527373D+01
      5   0.776890D+01  0.769762D+01  0.117803D+02  0.824312D+01  0.148017D+02
      6   0.858241D+01  0.950944D+01  0.332821D+01  0.983654D+01  0.909067D+01
                46            47            48            49            50 
      1   0.124946D+02  0.645979D+01 -0.111124D+02  0.521267D+01 -0.441260D+01
      2  -0.142116D+01  0.678548D-01  0.278870D+01  0.354679D+00  0.100811D+02
      3  -0.110734D+02 -0.652765D+01  0.832372D+01 -0.556735D+01 -0.566853D+01
      4   0.600183D+01 -0.138001D+02  0.867203D+01 -0.156588D+02 -0.218924D+01
      5  -0.558168D+01  0.101192D+02 -0.111314D+02  0.796004D+01 -0.186176D+02
      6   0.156999D+02 -0.112442D+02 -0.141098D+00 -0.127219D+02 -0.530489D+01
                51            52            53            54            55 
      1   0.101674D+01 -0.996082D+01 -0.482386D+00 -0.821678D+01  0.153311D+01
      2   0.345377D+01  0.227558D+01  0.265580D+01 -0.669681D+01 -0.348428D+01
      3  -0.447051D+01  0.768524D+01 -0.217341D+01  0.149136D+02  0.195116D+01
      4  -0.118169D+02  0.695485D+01 -0.835102D+01 -0.474056D-01 -0.183033D+02
      5   0.650330D+00 -0.119389D+02 -0.680279D+00  0.109919D+02  0.584675D+01
      6  -0.140965D+02 -0.724036D-01 -0.104893D+02 -0.954639D+00 -0.155061D+01
                56            57            58            59            60 
      1  -0.264415D+01  0.262459D+01 -0.310271D+01 -0.221962D+02  0.375615D+01
      2  -0.571029D+00 -0.241568D+01  0.101359D+01  0.336068D+02 -0.622825D+01
      3   0.321518D+01 -0.208911D+00  0.208912D+01 -0.114106D+02  0.247210D+01
      4  -0.870707D+00 -0.261884D+01  0.295404D+01 -0.450319D+01  0.605996D+00
      5  -0.150977D+01  0.434307D+01 -0.267684D+00 -0.545898D+00 -0.323155D+01
      6  -0.199591D+01  0.509040D+01  0.904720D+00 -0.726773D+01  0.704526D+01
                61            62            63            64            65 
      1   0.125387D+01  0.504175D+01 -0.897616D+00  0.341921D+02 -0.913501D+01
      2  -0.406682D+01 -0.129751D+01 -0.621978D+01 -0.186666D+02  0.371520D+01
      3   0.281294D+01 -0.374425D+01  0.711739D+01 -0.155255D+02  0.541981D+01
      4  -0.225138D+01 -0.885110D+00  0.327549D+01 -0.145248D+02  0.167359D+02
      5   0.311970D+01  0.104066D+00  0.156719D+01 -0.174372D+02  0.767937D+01
      6   0.290532D+01  0.120968D+01 -0.179055D+02  0.256549D+01 -0.316170D+01
                66            67            68            69            70 
      1  -0.903534D+01 -0.134209D+02  0.116566D+01  0.132558D+01 -0.150000D+02
      2   0.936895D+01  0.556235D+01  0.501788D+01 -0.230057D+01  0.103111D+02
      3  -0.333608D+00  0.785858D+01 -0.618354D+01  0.974990D+00  0.468889D+01
      4   0.783777D+01  0.160295D+02 -0.162733D+02 -0.905945D+01  0.590615D+01
      5   0.191592D+02  0.774553D+01 -0.926558D+01 -0.674607D+01  0.218443D+02
      6  -0.178545D+01 -0.405192D+01  0.341264D+01  0.757938D+01 -0.313107D+01
                71            72            73            74            75 
      1  -0.213496D+00  0.244039D+01  0.117679D+01  0.196437D+00  0.727372D-01
      2   0.272041D+00 -0.146632D+02 -0.499204D+01  0.602949D+00  0.638806D-02
      3  -0.585448D-01  0.122228D+02  0.381526D+01 -0.799386D+00 -0.791253D-01
      4  -0.130346D+02 -0.103754D+02 -0.182273D+00  0.169092D+01 -0.314949D+00
      5  -0.856280D+01 -0.297574D+02  0.688532D-02  0.443582D+00  0.629296D+01
      6   0.734390D+01  0.419485D+01 -0.176221D+00  0.313383D+00 -0.251874D+00
                76            77            78            79            80 
      1   0.863258D+00 -0.375957D+01 -0.109592D+01  0.106743D+01 -0.739471D-01
      2   0.246642D+00 -0.618208D+00 -0.280964D+01  0.222703D+00 -0.422786D+01
      3  -0.110990D+01  0.437778D+01  0.390556D+01 -0.129014D+01  0.430181D+01
      4   0.249203D+01 -0.253129D+00  0.568083D+00  0.739292D-01 -0.900152D-01
      5   0.405578D+00 -0.255579D-01 -0.538734D+00  0.543184D+01  0.475928D-01
      6   0.858801D+00  0.542937D+00  0.740480D+01  0.893156D+00  0.468740D+01
                81            82            83            84            85 
      1  -0.193402D+02 -0.272029D+00 -0.361731D+01 -0.255458D+01 -0.530637D+01
      2  -0.194944D+02  0.379888D+01  0.480248D+01  0.221042D+01  0.558695D+01
      3   0.388346D+02 -0.352685D+01 -0.118517D+01  0.344164D+00 -0.280582D+00
      4   0.102582D+01  0.972632D+00  0.400624D+01  0.850591D+00  0.295143D+01
      5   0.350457D+00 -0.156952D+01  0.719236D+00  0.120571D+01  0.117823D+01
      6  -0.100972D+01  0.168165D+01  0.176033D+01  0.712718D+00  0.131142D+01
                86            87            88            89            90 
      1  -0.194609D+02 -0.258234D+01 -0.388350D+01 -0.395357D+01 -0.505923D+01
      2   0.309007D+02  0.548488D+01  0.242989D+01  0.417531D+01  0.288055D+01
      3  -0.114398D+02 -0.290253D+01  0.145361D+01 -0.221739D+00  0.217868D+01
      4  -0.953217D+01 -0.189213D+01  0.485495D+00 -0.222333D+01 -0.157047D+01
      5  -0.218309D+01 -0.326965D+01  0.238208D+01 -0.211594D+01  0.810897D-02
      6   0.821049D+01  0.701220D+01  0.139212D+01  0.883278D+01  0.438617D+01
                91            92            93            94            95 
      1   0.369133D+02  0.143386D+02 -0.229673D+01  0.622169D+01  0.481976D+01
      2  -0.128672D+02 -0.258715D+01  0.424986D-01  0.976420D+00  0.250524D+01
      3  -0.240461D+02 -0.117515D+02  0.225423D+01 -0.719811D+01 -0.732500D+01
      4   0.275050D+02  0.182430D+02 -0.786549D+00  0.130219D+02  0.122043D+02
      5   0.275890D+01  0.162228D+01  0.514962D+01  0.559813D+00  0.830715D+00
      6  -0.102796D+01  0.282748D+00  0.227835D+01  0.376410D+00  0.323845D+00
                96            97            98            99           100 
      1  -0.545970D+00 -0.110926D+02 -0.502141D+01  0.340561D+01  0.172483D+00
      2  -0.287178D+00  0.340988D+01  0.387610D+00 -0.134689D+01  0.113388D+00
      3   0.833148D+00  0.768269D+01  0.463380D+01 -0.205872D+01 -0.285870D+00
      4  -0.531095D+00 -0.978267D+01 -0.687310D+01  0.423222D+01 -0.174287D+01
      5   0.205725D+01  0.542969D+01  0.281817D+01 -0.193179D+01 -0.824932D+00
      6   0.185006D+01  0.335768D+01  0.246976D+01 -0.158394D+01  0.233041D+01
               101           102           103           104           105 
      1   0.379608D+01 -0.197013D+00  0.973018D+00 -0.437681D+01 -0.237116D+01
      2  -0.535683D+01 -0.106747D+01 -0.139558D+01  0.654723D+01  0.332516D+01
      3   0.156075D+01  0.126448D+01  0.422560D+00 -0.217042D+01 -0.954002D+00
      4   0.241437D+01  0.171069D+01  0.275397D+01 -0.131614D+01 -0.530651D+00
      5   0.213898D+00  0.725676D+00  0.456592D+00 -0.484209D+00  0.258554D+00
      6   0.449009D+00 -0.706429D+01 -0.538087D+00  0.314414D+01  0.975997D+01
               106           107           108           109           110 
      1   0.846742D+00 -0.704759D+01 -0.803351D+01  0.586167D+01 -0.227087D+01
      2  -0.121315D+00  0.828900D+01  0.539139D+01  0.390005D+01  0.877761D+01
      3  -0.725427D+00 -0.124141D+01  0.264213D+01 -0.976172D+01 -0.650674D+01
      4   0.418925D+01 -0.703420D+00 -0.368848D+01  0.215144D+02  0.136109D+02
      5   0.127986D+01 -0.642856D+00 -0.404466D+00 -0.417394D+01 -0.759494D+00
      6  -0.461289D+01  0.102036D+02  0.169114D+02 -0.193549D+01 -0.321690D+00
               111           112           113           114           115 
      1  -0.131348D+01  0.110266D+01 -0.129627D+01  0.359035D+00 -0.206076D+01
      2   0.130214D+01  0.344395D+01  0.655841D+01 -0.453629D+00  0.257680D+01
      3   0.113455D-01 -0.454660D+01 -0.526215D+01  0.945941D-01 -0.516047D+00
      4  -0.847701D+00  0.123667D+02  0.750109D+01  0.175833D+01 -0.161057D+01
      5   0.245687D+01 -0.412445D+00  0.565502D-02  0.147400D+01  0.335111D+01
      6   0.301356D+01  0.128728D+01 -0.470744D+00  0.311610D+01  0.792691D+00
               116           117           118           119           120 
      1   0.659667D+00 -0.831486D+00  0.227643D+01  0.206584D+01  0.167768D+01
      2  -0.278589D-01  0.583011D+00 -0.307954D+01 -0.239517D+01 -0.312920D+01
      3  -0.631808D+00  0.248475D+00  0.803113D+00  0.329337D+00  0.145152D+01
      4   0.125870D+01  0.118491D+01  0.353691D+01  0.663475D+01  0.145442D+01
      5   0.529800D+00 -0.814983D+00  0.573373D+01  0.388698D+01  0.743285D+01
      6   0.353145D+01 -0.606368D+00  0.197117D+01  0.515203D+01  0.208480D+01
               121           122           123           124           125 
      1   0.373406D+01 -0.269482D+01 -0.478738D+01  0.860455D+00 -0.274605D+01
      2  -0.414887D+01 -0.664080D+00 -0.660791D+01 -0.215372D+01 -0.344718D+01
      3   0.414807D+00  0.335890D+01  0.113953D+02  0.129326D+01  0.619323D+01
      4   0.648325D+01  0.132967D+02  0.659673D+01  0.726884D+00  0.446595D+01
      5   0.743658D+01  0.104358D+02  0.105379D+02  0.577321D+01  0.540811D+01
      6   0.557570D+01  0.182104D+02  0.100933D+02  0.226867D+01  0.946472D+01
               126           127           128           129           130 
      1  -0.387860D+01 -0.913309D+01 -0.547646D+01  0.129292D+02 -0.391780D+01
      2  -0.400775D+01  0.240053D+00  0.234435D+01  0.263242D+01  0.206176D+01
      3   0.788634D+01  0.889304D+01  0.313211D+01 -0.155616D+02  0.185604D+01
      4   0.393970D+01  0.555040D+01  0.335797D+01 -0.350910D+01  0.423047D+01
      5   0.586432D+01 -0.124545D+02 -0.372642D+01  0.582443D+01 -0.366238D+01
      6   0.647048D+01 -0.712155D+01 -0.581871D+01  0.720563D+01 -0.323813D+01
               131           132           133           134           135 
      1  -0.414721D+01  0.391496D+01  0.901435D+01  0.358064D+01 -0.108647D+02
      2   0.190923D+01 -0.100663D+01  0.152120D+01 -0.700625D+00 -0.431462D+01
      3   0.223798D+01 -0.290833D+01 -0.105356D+02 -0.288002D+01  0.151793D+02
      4   0.162135D+01  0.386709D+00 -0.258387D+01 -0.413128D-01  0.215916D+01
      5   0.190364D+00  0.785728D+00  0.858832D+01  0.156338D+01 -0.485549D+01
      6  -0.385694D+01  0.682665D+01  0.439789D+01  0.618089D+01 -0.589348D+01
               136           137           138           139           140 
      1   0.113470D+02 -0.386006D+01  0.187465D+01 -0.498961D+01 -0.212679D+01
      2  -0.734126D+01  0.115398D+00 -0.566661D+01  0.675219D+00  0.545807D+01
      3  -0.400574D+01  0.374466D+01  0.379196D+01  0.431440D+01 -0.333129D+01
      4  -0.152868D+02  0.142800D+02 -0.854405D+01  0.148040D+02 -0.154065D+02
      5   0.191819D+02 -0.118577D+02  0.164274D+02 -0.129984D+02  0.130494D+02
      6  -0.112439D+02  0.117147D+02 -0.892540D+01  0.107652D+02 -0.147440D+02
               141           142           143           144           145 
      1   0.324112D+01  0.157008D+01  0.224838D+01 -0.212023D+01  0.983444D+00
      2   0.127202D+01 -0.425825D+01  0.924997D+00 -0.436045D+01 -0.254665D+01
      3  -0.451314D+01  0.268817D+01 -0.317338D+01  0.648068D+01  0.156321D+01
      4   0.933857D+01 -0.543480D+01  0.612368D+01 -0.720874D+01 -0.126196D+01
      5  -0.114527D+02  0.120592D+02 -0.781677D+01  0.113487D+02 -0.286863D+01
      6   0.131165D+02 -0.650508D+01  0.994028D+01 -0.940080D+01  0.757582D+00
               146           147           148           149           150 
      1  -0.137958D+01 -0.438733D+01 -0.183284D+01  0.782237D+00 -0.122237D+01
      2   0.472754D+00  0.231832D+01  0.561020D+00 -0.103458D+01  0.485725D+00
      3   0.906821D+00  0.206901D+01  0.127182D+01  0.252339D+00  0.736646D+00
      4   0.284206D+01  0.282303D+00  0.526266D+01 -0.101321D+00 -0.368802D+01
      5   0.167461D+00  0.588417D+01  0.770082D+00 -0.346064D+01 -0.143312D+01
      6   0.362903D-01  0.527991D+00 -0.122908D+01  0.131806D+01  0.628114D+01
               151           152           153           154           155 
      1  -0.800139D+01 -0.105525D+01 -0.128136D+02  0.151076D+02  0.875545D+01
      2   0.845590D+01  0.283799D+00 -0.197098D+02 -0.496513D+01 -0.274362D+01
      3  -0.454514D+00  0.771447D+00  0.325234D+02 -0.101425D+02 -0.601184D+01
      4   0.111839D+01 -0.565715D+01 -0.239949D+01  0.926836D+01  0.155042D+02
      5   0.152459D+02 -0.178548D+01 -0.449650D+02  0.120929D+01  0.325861D+00
      6  -0.192995D+01  0.676117D+01  0.799885D+01 -0.100593D+01 -0.251159D+01
               156           157           158           159           160 
      1   0.287871D+01  0.185037D+02  0.112328D+02  0.422463D+00  0.844654D+01
      2  -0.884498D+00 -0.789359D+01  0.261738D+01  0.129442D+01 -0.363385D+01
      3  -0.199422D+01 -0.106101D+02 -0.138501D+02 -0.171688D+01 -0.481269D+01
      4   0.118910D+01  0.188627D+02  0.295117D+02  0.302085D+01  0.280650D+01
      5   0.332085D+01 -0.185074D+01  0.304730D+01  0.792363D+01  0.375530D+01
      6   0.488149D+00 -0.165622D+01 -0.483162D+01  0.181445D+01  0.107080D+01
               161           162           163           164           165 
      1   0.183996D+01  0.428490D+00  0.424157D+02 -0.176753D+02  0.502493D+01
      2   0.145884D+00 -0.175794D+01 -0.161358D+02  0.461161D+01 -0.138310D+01
      3  -0.198585D+01  0.132945D+01 -0.262799D+02  0.130637D+02 -0.364183D+01
      4   0.640380D+01  0.415942D+01 -0.256914D+02  0.214986D+02 -0.271540D+01
      5   0.469463D+01  0.475247D+00  0.973516D+00 -0.511940D+00  0.719060D+01
      6   0.174147D+01  0.128133D+01  0.165162D+01 -0.249517D+01 -0.140020D+01
               166           167           168           169           170 
      1  -0.252065D+02  0.139830D+02 -0.149253D+01  0.137716D+02 -0.413050D+01
      2   0.676058D+01  0.209154D+01 -0.106317D+01 -0.501584D+01  0.188176D+00
      3   0.184460D+02 -0.160746D+02  0.255571D+01 -0.875575D+01  0.394232D+01
      4   0.269567D+02 -0.228092D+02  0.356315D+01 -0.757045D+01  0.772854D+01
      5   0.609191D+00  0.194259D+01 -0.737075D+01  0.736262D+01 -0.493748D+01
      6  -0.223563D+01  0.145257D+01  0.313364D+01 -0.182700D+01  0.209185D+01
               171 
      1   0.315227D+01
      2  -0.266349D+01
      3  -0.488780D+00
      4  -0.533485D+01
      5   0.205552D+01
      6  -0.940888D+00
 Leave Link  716 at Thu Aug 12 22:45:29 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.877478D+02  0.121199D+00 -0.251648D+01
      2   0.121199D+00  0.772214D+02  0.198713D+01
      3  -0.251648D+01  0.198713D+01  0.752905D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.248842D+01  0.102943D+01 -0.108552D+01
      2   0.609687D+01 -0.684387D+01  0.308191D+02
      3   0.718021D+01 -0.259721D+02  0.820014D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.737941D+02 -0.245687D+02  0.194634D+01
      2  -0.411926D+02  0.251270D+02 -0.936791D+01
      3  -0.326015D+02 -0.558292D+00  0.742157D+01
      4  -0.253462D+02  0.459174D+02 -0.181236D+02
      5   0.100373D+02 -0.207804D+02  0.619596D+02
      6  -0.466123D+01  0.114974D+01 -0.649668D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.592523D+00  0.231311D+01 -0.347718D+01  0.372410D+01 -0.443413D+01
      2   0.231311D+01 -0.392691D+01  0.125914D+00 -0.443413D+01 -0.254694D+01
      3  -0.347718D+01  0.125914D+00  0.118555D+01 -0.702620D-01 -0.200696D+01
                 6             7             8             9            10 
      1  -0.702620D-01 -0.464395D+01  0.515638D+00 -0.832148D-01  0.155654D+01
      2  -0.200696D+01  0.515638D+00 -0.230917D+01  0.354485D+00 -0.269022D+01
      3   0.442437D+00 -0.832148D-01  0.354485D+00  0.702976D+01  0.416735D+01
                11            12            13            14            15 
      1  -0.269022D+01  0.416735D+01 -0.605248D+01  0.422326D+01  0.284923D+00
      2   0.403182D+01  0.308886D+00  0.422326D+01  0.401892D+01  0.283559D+01
      3   0.308886D+00 -0.404371D+00  0.284923D+00  0.283559D+01  0.110926D+00
                16            17            18            19            20 
      1   0.653306D+01 -0.370924D+00  0.114770D-01 -0.408331D+01  0.436668D+01
      2  -0.370924D+00  0.317775D+01  0.253426D+00  0.436668D+01 -0.224657D+01
      3   0.114770D-01  0.253426D+00 -0.521310D+01 -0.127249D+01  0.556704D+00
                21            22            23            24            25 
      1  -0.127249D+01  0.674863D+01 -0.136472D+01 -0.301810D+00 -0.345836D+01
      2   0.556704D+00 -0.136472D+01 -0.561259D+00 -0.231046D+00  0.640889D+00
      3  -0.458917D+00 -0.301810D+00 -0.231046D+00  0.182615D+01 -0.686455D+00
                26            27            28            29            30 
      1   0.640889D+00 -0.686455D+00  0.105801D+01 -0.261445D+01 -0.101192D+01
      2  -0.248532D+01  0.223052D+01 -0.261445D+01  0.339066D+00  0.175406D+01
      3   0.223052D+01  0.629393D+01 -0.101192D+01  0.175406D+01  0.382063D+00
                31            32            33            34            35 
      1  -0.356716D+01 -0.858105D-01  0.196458D+01 -0.429690D+01  0.168195D+01
      2  -0.858105D-01 -0.399292D+00  0.584921D+00  0.168195D+01 -0.234044D+00
      3   0.196458D+01  0.584921D+00 -0.131644D+01  0.180416D+01 -0.960979D+00
                36            37            38            39            40 
      1   0.180416D+01  0.489062D+01  0.171140D+01 -0.173624D+01  0.282936D+00
      2  -0.960979D+00  0.171140D+01  0.185619D+01 -0.789275D+00  0.118734D+00
      3  -0.310977D+01 -0.173624D+01 -0.789275D+00  0.344657D+00 -0.100950D+01
                41            42            43            44            45 
      1   0.118734D+00 -0.100950D+01 -0.356245D+01 -0.183331D+01 -0.106606D+01
      2  -0.318997D+01 -0.172281D+01 -0.183331D+01 -0.225404D+01 -0.155046D+01
      3  -0.172281D+01 -0.740308D+00 -0.106606D+01 -0.155046D+01 -0.277498D+01
                46            47            48            49            50 
      1   0.135090D+01  0.306853D+01 -0.433617D+01  0.305574D+01 -0.331924D+01
      2   0.306853D+01 -0.310338D+01  0.147199D+00 -0.331924D+01 -0.250743D+01
      3  -0.433617D+01  0.147199D+00  0.770099D+00  0.398752D-01 -0.321332D+01
                51            52            53            54            55 
      1   0.398752D-01 -0.357318D+01 -0.320778D-01  0.376556D+00 -0.366716D+01
      2  -0.321332D+01 -0.320778D-01 -0.260536D+01 -0.131707D+00 -0.742062D+00
      3   0.264083D+00  0.376556D+00 -0.131707D+00  0.370673D+01  0.175361D-01
                56            57            58            59            60 
      1  -0.742062D+00  0.175361D-01 -0.193780D+01 -0.559045D+00  0.110587D+00
      2  -0.219215D-02 -0.258744D+00 -0.559045D+00  0.448476D+01 -0.161779D+01
      3  -0.258744D+00  0.148453D+01  0.110587D+00 -0.161779D+01 -0.140255D+01
                61            62            63            64            65 
      1  -0.113336D+00 -0.773282D+00  0.823914D+00 -0.626375D+01  0.235383D+01
      2  -0.773282D+00 -0.497060D+00 -0.515950D+00  0.235383D+01 -0.178541D+01
      3   0.823914D+00 -0.515950D+00 -0.367608D+01  0.295985D+01 -0.139204D+01
                66            67            68            69            70 
      1   0.295985D+01  0.415636D+01 -0.203402D+01 -0.119249D+01  0.607747D+01
      2  -0.139204D+01 -0.203402D+01  0.391988D+01  0.183636D+01 -0.928290D+00
      3  -0.191512D+01 -0.119249D+01  0.183636D+01  0.179223D+01 -0.303955D+01
                71            72            73            74            75 
      1  -0.928290D+00 -0.303955D+01  0.605643D+00 -0.765389D+00 -0.103387D+01
      2   0.246379D+01  0.208869D+01 -0.765389D+00  0.475206D+00 -0.468983D-02
      3   0.208869D+01  0.626314D+01 -0.103387D+01 -0.468983D-02  0.290826D+00
                76            77            78            79            80 
      1  -0.119467D+01  0.218110D+00  0.912840D-01 -0.133060D+01 -0.953076D-01
      2   0.218110D+00 -0.162816D+00 -0.125089D+01 -0.953076D-01 -0.160418D+01
      3   0.912840D-01 -0.125089D+01 -0.754222D+00  0.206106D+00 -0.850290D+00
                81            82            83            84            85 
      1   0.206106D+00 -0.122865D+01 -0.942926D+00 -0.993913D+00 -0.110906D+01
      2  -0.850290D+00 -0.942926D+00 -0.150870D+01 -0.133203D+00 -0.124937D+01
      3  -0.875894D+01 -0.993913D+00 -0.133203D+00 -0.437458D+00 -0.836887D-01
                86            87            88            89            90 
      1  -0.124937D+01 -0.836887D-01 -0.130925D+01 -0.116333D+00 -0.170349D+00
      2  -0.780046D+01 -0.158628D+01 -0.116333D+00 -0.175827D+01 -0.155850D+01
      3  -0.158628D+01 -0.162682D+01 -0.170349D+00 -0.155850D+01 -0.527401D+00
                91            92            93            94            95 
      1  -0.758947D+01 -0.364336D+01  0.240944D+00 -0.219900D+01 -0.185540D+01
      2  -0.364336D+01 -0.290890D+01 -0.895613D-02 -0.185540D+01 -0.225767D+01
      3   0.240944D+00 -0.895613D-02 -0.111643D+01  0.170879D+00  0.121970D-03
                96            97            98            99           100 
      1   0.170879D+00  0.254747D+01  0.141719D+01 -0.996639D+00 -0.114609D+01
      2   0.121970D-03  0.141719D+01  0.113441D+01 -0.575410D+00  0.146006D+00
      3  -0.596887D+00 -0.996639D+00 -0.575410D+00  0.341574D+00  0.507853D+00
               101           102           103           104           105 
      1   0.146006D+00  0.507853D+00  0.465458D+00 -0.327479D+00 -0.120483D+00
      2  -0.149987D+01 -0.283465D+00 -0.327479D+00  0.160498D+01  0.842227D+00
      3  -0.283465D+00 -0.187932D+01 -0.120483D+00  0.842227D+00  0.193880D+01
               106           107           108           109           110 
      1   0.158110D+01 -0.500748D-01 -0.951682D+00  0.582599D+01  0.225068D+01
      2  -0.500748D-01  0.223076D+01  0.184256D+01  0.225068D+01  0.257248D+01
      3  -0.951682D+00  0.184256D+01  0.398894D+01 -0.375489D+00  0.174107D+00
               111           112           113           114           115 
      1  -0.375489D+00  0.238804D+01  0.110252D+01  0.378227D+00 -0.885325D+00
      2   0.174107D+00  0.110252D+01  0.200411D+01 -0.549921D-01  0.329665D+00
      3   0.686299D+00  0.378227D+00 -0.549921D-01  0.773072D+00  0.240813D+00
               116           117           118           119           120 
      1   0.329665D+00  0.240813D+00  0.923890D+00  0.661106D+00  0.109108D+01
      2  -0.555318D+00  0.556793D+00  0.661106D+00  0.136664D+01  0.506318D+00
      3   0.556793D+00 -0.372521D+00  0.109108D+01  0.506318D+00  0.867726D+00
               121           122           123           124           125 
      1   0.134164D+01  0.125367D+01  0.879771D+00  0.839513D+00  0.378540D+00
      2   0.125367D+01  0.491487D+01  0.193213D+01  0.378540D+00  0.164709D+01
      3   0.879771D+00  0.193213D+01  0.294775D+01  0.474544D+00  0.136108D+01
               126           127           128           129           130 
      1   0.474544D+00 -0.494298D+01 -0.120133D+01  0.234689D+01 -0.121550D+01
      2   0.136108D+01 -0.120133D+01 -0.104989D+01  0.899596D+00 -0.529790D+00
      3   0.163521D+01  0.234689D+01  0.899596D+00 -0.330705D+01  0.517591D+00
               131           132           133           134           135 
      1  -0.529790D+00  0.517591D+00  0.202545D+01  0.516742D+00 -0.182480D+01
      2  -0.696889D+00  0.116229D+01  0.516742D+00  0.944376D+00 -0.696893D+00
      3   0.116229D+01 -0.101051D+01 -0.182480D+01 -0.696893D+00  0.259858D+01
               136           137           138           139           140 
      1   0.384487D+01 -0.248832D+01  0.245569D+01 -0.278134D+01  0.246139D+01
      2  -0.248832D+01  0.251485D+01 -0.138908D+01  0.246139D+01 -0.316345D+01
      3   0.245569D+01 -0.138908D+01  0.232966D+01 -0.142031D+01  0.222675D+01
               141           142           143           144           145 
      1  -0.142031D+01  0.145849D+01 -0.920457D+00  0.151158D+01  0.823512D-01
      2   0.222675D+01 -0.920457D+00  0.149163D+01 -0.147817D+01 -0.191411D+00
      3  -0.235140D+01  0.151158D+01 -0.147817D+01  0.190858D+01 -0.636064D+00
               146           147           148           149           150 
      1  -0.191411D+00 -0.636064D+00 -0.492033D+00  0.705732D+00  0.663189D-01
      2   0.220050D+00 -0.220145D-02  0.705732D+00 -0.115347D-01 -0.859598D+00
      3  -0.220145D-02 -0.130640D+00  0.663189D-01 -0.859598D+00 -0.412680D+00
               151           152           153           154           155 
      1  -0.195286D+01  0.129478D+00  0.186345D+01  0.207656D+01  0.143708D+01
      2   0.129478D+00 -0.112709D+01 -0.323646D+00  0.143708D+01  0.207532D+01
      3   0.186345D+01 -0.323646D+00 -0.946810D+01  0.415164D+00  0.893717D-01
               156           157           158           159           160 
      1   0.415164D+00  0.318202D+01  0.235743D+01 -0.144669D+00  0.146857D+01
      2   0.893717D-01  0.235743D+01  0.533530D+01  0.563939D+00  0.348329D+00
      3   0.446142D+00 -0.144669D+00  0.563939D+00  0.127086D+01  0.517899D+00
               161           162           163           164           165 
      1   0.348329D+00  0.517899D+00  0.611353D+01 -0.302898D+01  0.670974D+00
      2   0.121956D+01  0.750107D+00 -0.302898D+01  0.258021D+01 -0.300495D+00
      3   0.750107D+00 -0.123682D-01  0.670974D+00 -0.300495D+00  0.861767D+00
               166           167           168           169           170 
      1  -0.479587D+01  0.331815D+01 -0.160825D+00  0.259509D+01 -0.838370D+00
      2   0.331815D+01 -0.298509D+01  0.559361D+00 -0.838370D+00  0.112048D+01
      3  -0.160825D+00  0.559361D+00 -0.115448D+01  0.988242D+00 -0.795669D+00
               171 
      1   0.988242D+00
      2  -0.795669D+00
      3   0.146796D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.340463D+01  0.347580D+01  0.502206D+00  0.449983D+01  0.138570D+01
      2  -0.841792D+01  0.215145D+01  0.110997D+01  0.321516D+01 -0.911744D+01
      3  -0.667305D+01  0.866392D+01  0.132804D+01  0.160278D+02  0.103060D+02
                 6             7             8             9            10 
      1  -0.419639D+00  0.627856D+00  0.321804D+01  0.123407D+01  0.349525D+01
      2   0.764324D+00 -0.833837D+01  0.129172D+01  0.206555D+02  0.751164D+01
      3   0.424899D+01 -0.107228D+01  0.628947D+01 -0.109664D+01  0.975841D+00
                11            12            13            14            15 
      1  -0.927318D+00 -0.821935D-01 -0.835219D+00  0.408967D+01 -0.495760D+01
      2  -0.139065D+01  0.407856D+01 -0.397104D+01  0.423292D+01 -0.215205D+00
      3  -0.361056D+01 -0.183302D+01  0.183934D+01 -0.113788D+02 -0.311085D+01
                16            17            18            19            20 
      1  -0.605970D+00  0.168910D+01 -0.297282D+01 -0.264443D+01 -0.567266D+00
      2  -0.242586D+01  0.961273D+00 -0.517233D+01 -0.185085D+01  0.220879D+01
      3  -0.942100D+00 -0.235573D+01 -0.715870D+00  0.768039D+01 -0.563187D+01
                21            22            23            24            25 
      1  -0.137389D+01  0.234299D+01 -0.246994D+00  0.288302D+01 -0.292875D+01
      2   0.190271D+01  0.565636D+01 -0.162794D+01  0.230895D+01 -0.744073D+01
      3   0.674412D+00  0.930825D+00  0.106637D+01 -0.108556D+01 -0.211886D+01
                26            27            28            29            30 
      1   0.492232D+01 -0.246630D+01  0.154486D+01  0.358995D+01  0.218030D+01
      2   0.102773D+01 -0.167678D+01 -0.561257D+01 -0.178785D+01 -0.479564D+01
      3   0.156822D+01  0.420899D+00 -0.973940D+01  0.262095D+01 -0.156232D+01
                31            32            33            34            35 
      1   0.126088D+00 -0.844242D+01 -0.715886D+00  0.715592D+00  0.200404D+01
      2   0.281819D+01  0.185720D+01  0.986753D-01 -0.995299D+01  0.304970D+00
      3   0.391968D+01  0.427397D+01 -0.198148D+01 -0.578694D+01 -0.677134D+01
                36            37            38            39            40 
      1   0.706379D+01 -0.299898D+01 -0.712567D+00 -0.514958D+00 -0.124164D+00
      2   0.921043D+01  0.591096D+01  0.278223D+01  0.835518D+00 -0.236557D+01
      3  -0.202361D+01 -0.651477D+00 -0.746791D+00  0.818845D+00  0.554831D+01
                41            42            43            44            45 
      1   0.258313D+01 -0.437686D+01  0.264135D+01  0.353445D+01 -0.317196D+01
      2   0.246616D+01  0.213446D+01 -0.483657D+01  0.135817D+01  0.591596D+01
      3  -0.771525D+01 -0.229052D+01  0.246675D+01 -0.250936D+01 -0.284728D+01
                46            47            48            49            50 
      1   0.278143D+01 -0.567531D+01  0.521782D+00 -0.597489D+01 -0.749719D+01
      2  -0.100149D+02 -0.597195D+01  0.128742D+02 -0.424129D+01  0.161272D+01
      3  -0.510978D+01  0.220396D+00  0.200138D+01  0.446042D+01  0.578051D+01
                51            52            53            54            55 
      1  -0.956494D+01 -0.217119D+00 -0.364887D+01  0.317074D+01  0.130023D+01
      2  -0.233933D+00  0.591587D+01  0.209963D+00  0.282436D+01 -0.219222D+01
      3   0.394043D+01  0.197900D+01  0.333196D+01  0.156463D+00 -0.134117D+02
                56            57            58            59            60 
      1   0.282530D+01 -0.315265D+01  0.514662D+00 -0.248513D+01 -0.333248D+01
      2   0.105499D+00  0.247716D+01 -0.849932D+00 -0.260627D+00 -0.142961D+01
      3  -0.731224D+01 -0.550478D+00  0.496171D+01 -0.392313D+00  0.594943D+00
                61            62            63            64            65 
      1  -0.222290D+01  0.703781D+01  0.103595D+02 -0.697108D+00 -0.307327D+01
      2  -0.177694D+01 -0.197983D+00  0.107346D+01 -0.176656D+01  0.250037D+01
      3  -0.233272D+01 -0.219026D+01  0.362524D+01  0.253745D+01 -0.835166D+01
                66            67            68            69            70 
      1   0.103721D+01  0.736481D+00  0.277383D+01 -0.314906D+01 -0.918684D-01
      2   0.934936D+01  0.930419D+00 -0.487828D+01 -0.340098D+01  0.142504D+01
      3  -0.832089D+00  0.712039D+00  0.610621D+01  0.372634D+01  0.386686D+01
                71            72            73            74            75 
      1   0.503244D+01 -0.251146D+01  0.408792D+00 -0.388853D+00  0.249617D+00
      2  -0.352315D+01 -0.140065D+02  0.669147D+00 -0.592573D+00 -0.131918D-01
      3   0.747720D+01  0.350708D+01 -0.205898D+00 -0.183899D+00 -0.406399D+00
                76            77            78            79            80 
      1  -0.664572D+00  0.769563D+00 -0.184976D+00  0.373212D+00  0.367291D+01
      2  -0.105436D+01  0.168327D+00 -0.333323D+00 -0.441734D+01 -0.498643D-01
      3   0.162626D+01 -0.169150D+00 -0.158805D+00  0.537369D+00 -0.191929D+00
                81            82            83            84            85 
      1   0.158398D+01 -0.118666D+01  0.789428D-01 -0.610994D+00 -0.282463D+00
      2   0.515298D+00 -0.164522D+01 -0.257248D+00  0.145708D+00 -0.545189D+00
      3  -0.573159D-02  0.340196D+01  0.141649D+01  0.108255D+01  0.578073D+01
                86            87            88            89            90 
      1   0.402563D+00 -0.407712D+01 -0.852733D-01  0.355556D+00 -0.347844D+00
      2  -0.153197D+01 -0.133991D+01 -0.199243D+01 -0.160549D+01 -0.436100D+00
      3   0.866493D+01  0.194838D+01  0.199184D+01  0.173125D+01  0.177219D+01
                91            92            93            94            95 
      1   0.332525D+01  0.193215D+01 -0.180559D+01  0.193316D+01  0.179591D+01
      2  -0.545647D+01 -0.281365D+01  0.370237D+01 -0.243689D+01 -0.180414D+01
      3   0.169900D+01 -0.358686D+01 -0.650821D+00  0.177490D+00 -0.195541D+01
                96            97            98            99           100 
      1  -0.886348D+00 -0.174316D+01 -0.676816D+00  0.123665D+01 -0.168221D+01
      2   0.151109D+01  0.288159D+01  0.162157D+01 -0.233406D+01  0.566389D+00
      3   0.124449D+00  0.129186D+00  0.184553D+01 -0.230179D+00 -0.261737D+01
               101           102           103           104           105 
      1  -0.209010D+00  0.474193D+01 -0.146710D+00 -0.179274D+01 -0.519380D+01
      2   0.554780D+00  0.728023D-01  0.402406D+00  0.133688D+00  0.501677D-01
      3  -0.935085D+00  0.141911D+01  0.580246D+00 -0.811272D+00 -0.197278D+00
               106           107           108           109           110 
      1   0.275579D+01 -0.299935D+01 -0.120001D+02 -0.658679D+00 -0.165863D+01
      2  -0.238319D+01  0.521460D-01 -0.116212D+01  0.253680D+01  0.532684D+00
      3   0.495000D+01 -0.255254D+00 -0.312812D+01  0.168106D+02  0.162070D+01
               111           112           113           114           115 
      1  -0.254805D+01 -0.148195D+01 -0.705052D+00 -0.152891D+01 -0.483512D+00
      2   0.194576D+01  0.718307D+00  0.398879D+00  0.117264D+01 -0.965680D+00
      3  -0.396947D+00  0.493733D+01  0.163782D+01  0.104820D+01 -0.172147D+01
               116           117           118           119           120 
      1   0.207712D+00 -0.453786D+00  0.190981D+01  0.298914D+01  0.107244D+01
      2   0.496711D+00  0.599500D-01  0.218123D+00 -0.530865D+00  0.539317D+00
      3   0.817402D+00  0.379263D-01 -0.649113D+00 -0.287821D+01 -0.102032D+01
               121           122           123           124           125 
      1   0.250773D+01  0.131790D+02  0.277053D+01  0.136747D+01  0.506737D+01
      2  -0.247311D+01  0.246432D+00  0.320876D+01 -0.222014D+01  0.870958D+00
      3   0.133145D+00 -0.813098D+01 -0.236254D+01 -0.537062D+00 -0.191157D+01
               126           127           128           129           130 
      1   0.311148D+01 -0.240400D+00 -0.247229D+01 -0.128207D+01 -0.864481D+00
      2   0.108735D+01  0.154195D+02  0.310476D+01 -0.578174D+01  0.279431D+01
      3  -0.214220D+01  0.536833D+01  0.106380D+00 -0.197608D+01  0.233136D+01
               131           132           133           134           135 
      1  -0.515700D-01  0.307602D+00 -0.330081D+00  0.257716D+01  0.540695D+00
      2   0.215757D+01 -0.167758D+01 -0.815520D+01 -0.189504D+01  0.536138D+01
      3   0.651644D+00 -0.147451D+01 -0.192568D+01 -0.506071D+00  0.191992D+01
               136           137           138           139           140 
      1  -0.260541D+01  0.463851D+01  0.424722D+00  0.342164D+01 -0.454530D+01
      2  -0.407919D+01  0.248236D+01  0.123402D+01  0.396085D+01 -0.132128D+01
      3  -0.266884D+00 -0.331346D+01  0.304606D+00  0.371037D+00  0.326705D+01
               141           142           143           144           145 
      1   0.400518D+00 -0.650725D+00  0.286318D+01 -0.599973D+00 -0.160353D+00
      2  -0.155382D+01 -0.269406D+01  0.104594D+00  0.365535D+00 -0.225184D+01
      3  -0.201920D+01 -0.509773D+00 -0.190819D+01  0.775598D+00  0.718135D+00
               146           147           148           149           150 
      1  -0.128544D+00 -0.625430D-01 -0.529651D+00 -0.340616D+00 -0.268341D+00
      2  -0.124297D+00  0.350335D+00 -0.292466D+00 -0.113550D+01 -0.925978D+00
      3  -0.127968D+01  0.285325D+00 -0.844618D+00 -0.638125D+00  0.185707D+01
               151           152           153           154           155 
      1   0.461842D+00  0.390457D+01 -0.277641D+01 -0.110433D+01 -0.175900D+01
      2  -0.718998D+00 -0.695862D+00 -0.234608D+02  0.269514D+01  0.162009D+01
      3   0.514354D+00  0.318762D+01  0.337239D+00 -0.458590D+01 -0.690380D+01
               156           157           158           159           160 
      1  -0.855291D+00 -0.181427D+01 -0.397928D+01 -0.253951D+01 -0.321709D+00
      2   0.247009D+01  0.161332D+01  0.414903D+01  0.455595D+01  0.970984D+00
      3  -0.434231D+00 -0.412362D+01 -0.183597D+02 -0.221379D+01 -0.457877D+00
               161           162           163           164           165 
      1   0.275471D+00 -0.978620D+00  0.261756D+01 -0.195774D+01  0.155801D+01
      2   0.222237D+01  0.694200D+00  0.650132D+01 -0.358146D+01  0.515189D+01
      3  -0.410864D+01 -0.204249D+01  0.465796D+01 -0.852781D+01  0.754849D+00
               166           167           168           169           170 
      1  -0.210550D+01  0.211444D+01 -0.281541D+01  0.798837D+00 -0.424022D+00
      2  -0.387949D+01  0.425425D+01 -0.469467D+01  0.324740D+01 -0.261606D+01
      3  -0.549183D+01  0.785773D+01 -0.185379D+01  0.969384D+00 -0.354031D+01
               171 
      1   0.971943D+00
      2   0.174479D+01
      3   0.167958D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.192161D+01  0.124509D+02 -0.181880D+02  0.138273D+02 -0.271730D+02
      2  -0.759392D+01 -0.428793D+01  0.847763D+01 -0.461573D+01  0.835491D+01
      3   0.567231D+01 -0.816293D+01  0.971038D+01 -0.921156D+01  0.188181D+02
      4   0.157796D+02 -0.236353D+02  0.281407D+01 -0.319418D+02 -0.105850D+02
      5  -0.195703D+02 -0.688648D+00  0.702397D+01 -0.161422D+01 -0.797611D+01
      6   0.598820D+00  0.281901D+01 -0.883916D+00  0.228672D+01  0.392642D+01
                 6             7             8             9            10 
      1  -0.474527D+00 -0.222214D+02  0.270548D+01  0.129844D+02 -0.110677D+02
      2   0.145601D+01  0.720135D+01  0.192037D+00  0.811712D+01  0.127047D+01
      3  -0.981487D+00  0.150200D+02 -0.289751D+01 -0.211015D+02  0.979728D+01
      4  -0.998178D+01  0.519821D+01 -0.126285D+02  0.234220D+01 -0.517552D+01
      5   0.108619D+01  0.304624D+01  0.154618D+01  0.298690D+02  0.161031D+02
      6   0.172619D+01  0.240939D+00  0.199492D+01 -0.720303D+01 -0.447007D+01
                11            12            13            14            15 
      1  -0.259423D+01  0.137692D+02 -0.303586D+01  0.184729D+02  0.400599D+01
      2   0.343430D+00 -0.941052D+01  0.368182D+00 -0.217368D+02 -0.604588D+01
      3   0.225080D+01 -0.435871D+01  0.266767D+01  0.326388D+01  0.203990D+01
      4   0.824335D+01 -0.231297D+01  0.178512D+02  0.278946D+01  0.454116D+01
      5   0.584674D+00 -0.279072D+01  0.818629D+00  0.474233D+01 -0.424504D-01
      6   0.274860D-01  0.698763D+00  0.439938D+00 -0.941869D+01  0.352486D+01
                16            17            18            19            20 
      1   0.177016D+02  0.781117D+00  0.294910D+01 -0.465630D+01 -0.570263D+00
      2  -0.852787D+01 -0.351797D+01 -0.965636D+00  0.840249D+01 -0.410402D+01
      3  -0.917377D+01  0.273686D+01 -0.198346D+01 -0.374619D+01  0.467428D+01
      4  -0.434771D+01  0.524709D+01  0.134583D+01 -0.149809D+01 -0.120160D+01
      5  -0.183002D+01  0.159670D+01 -0.127822D+02 -0.476625D+01 -0.101039D+01
      6  -0.142966D+00 -0.258389D+01  0.471504D+01  0.958094D+00  0.104481D+01
                21            22            23            24            25 
      1  -0.244551D+01  0.345651D+01  0.164015D+01  0.630190D+00 -0.827998D+01
      2   0.449914D+01 -0.453111D+01 -0.328622D+01  0.391973D+01  0.463905D+01
      3  -0.205364D+01  0.107459D+01  0.164607D+01 -0.454992D+01  0.364093D+01
      4   0.636923D+00 -0.117442D+02  0.415811D+01 -0.221083D+01  0.317024D+01
      5   0.174674D+01  0.102781D+01  0.666822D+00  0.460783D+01  0.269299D+01
      6  -0.582376D+00 -0.321290D+01  0.511490D+01 -0.820098D+01 -0.117457D+01
                26            27            28            29            30 
      1   0.794938D+01  0.799862D+01 -0.709827D+01  0.965028D+01 -0.258410D+00
      2  -0.485431D+01  0.172963D+02  0.354159D+01 -0.741700D+01 -0.339580D+01
      3  -0.309508D+01 -0.252949D+02  0.355668D+01 -0.223328D+01  0.365421D+01
      4   0.695727D+00 -0.173089D+01  0.816642D+01 -0.833097D+01 -0.815950D+01
      5  -0.730707D+00  0.560275D+00  0.720979D+01 -0.754049D+01 -0.123846D+02
      6   0.576254D+01 -0.198129D+01 -0.528785D+01  0.175989D+01 -0.265977D+01
                31            32            33            34            35 
      1   0.137990D+02  0.373387D+01 -0.458129D+01  0.150289D+02 -0.263457D+01
      2  -0.774863D+01 -0.606149D+01  0.861972D+01 -0.842946D+01 -0.334340D+01
      3  -0.605037D+01  0.232762D+01 -0.403843D+01 -0.659948D+01  0.597796D+01
      4  -0.487524D+01 -0.255579D+01 -0.773922D+00 -0.108970D+02  0.740013D+01
      5  -0.161439D+02 -0.121242D+00 -0.299406D+01 -0.116261D+02  0.841757D+00
      6  -0.314090D+01 -0.635710D+01 -0.220590D+01 -0.113034D+01 -0.175838D+01
                36            37            38            39            40 
      1  -0.732046D+01 -0.171714D+02 -0.832846D+01  0.758179D+01 -0.696198D+01
      2   0.561362D+01  0.332817D+01  0.352831D+01 -0.461609D+01  0.288377D+01
      3   0.170684D+01  0.138432D+02  0.480016D+01 -0.296570D+01  0.407821D+01
      4   0.341724D+01 -0.145072D+02 -0.400213D+01  0.634830D+01  0.494726D+01
      5   0.151025D+02  0.770665D+01  0.382943D+01  0.741303D+01  0.798171D+01
      6  -0.558205D+01  0.560491D+01  0.218924D+01  0.159401D+01  0.570202D+01
                41            42            43            44            45 
      1  -0.156671D+02 -0.843472D+00  0.126164D+02  0.122761D+01 -0.417606D+01
      2   0.207146D+02  0.140942D+00 -0.515867D+01  0.257731D+01 -0.387487D+01
      3  -0.504753D+01  0.702530D+00 -0.745774D+01 -0.380493D+01  0.805093D+01
      4   0.145635D+02  0.758872D+01  0.138486D+02  0.111639D+02  0.527373D+01
      5   0.776890D+01  0.769762D+01  0.117803D+02  0.824312D+01  0.148017D+02
      6   0.858241D+01  0.950944D+01  0.332821D+01  0.983654D+01  0.909067D+01
                46            47            48            49            50 
      1   0.124946D+02  0.645979D+01 -0.111124D+02  0.521267D+01 -0.441260D+01
      2  -0.142116D+01  0.678548D-01  0.278870D+01  0.354679D+00  0.100811D+02
      3  -0.110734D+02 -0.652765D+01  0.832372D+01 -0.556735D+01 -0.566853D+01
      4   0.600183D+01 -0.138001D+02  0.867203D+01 -0.156588D+02 -0.218924D+01
      5  -0.558168D+01  0.101192D+02 -0.111314D+02  0.796004D+01 -0.186176D+02
      6   0.156999D+02 -0.112442D+02 -0.141098D+00 -0.127219D+02 -0.530489D+01
                51            52            53            54            55 
      1   0.101674D+01 -0.996082D+01 -0.482386D+00 -0.821678D+01  0.153311D+01
      2   0.345377D+01  0.227558D+01  0.265580D+01 -0.669681D+01 -0.348428D+01
      3  -0.447051D+01  0.768524D+01 -0.217341D+01  0.149136D+02  0.195116D+01
      4  -0.118169D+02  0.695485D+01 -0.835102D+01 -0.474056D-01 -0.183033D+02
      5   0.650330D+00 -0.119389D+02 -0.680279D+00  0.109919D+02  0.584675D+01
      6  -0.140965D+02 -0.724036D-01 -0.104893D+02 -0.954639D+00 -0.155061D+01
                56            57            58            59            60 
      1  -0.264415D+01  0.262459D+01 -0.310271D+01 -0.221962D+02  0.375615D+01
      2  -0.571029D+00 -0.241568D+01  0.101359D+01  0.336068D+02 -0.622825D+01
      3   0.321518D+01 -0.208911D+00  0.208912D+01 -0.114106D+02  0.247210D+01
      4  -0.870707D+00 -0.261884D+01  0.295404D+01 -0.450319D+01  0.605996D+00
      5  -0.150977D+01  0.434307D+01 -0.267684D+00 -0.545898D+00 -0.323155D+01
      6  -0.199591D+01  0.509040D+01  0.904720D+00 -0.726773D+01  0.704526D+01
                61            62            63            64            65 
      1   0.125387D+01  0.504175D+01 -0.897616D+00  0.341921D+02 -0.913501D+01
      2  -0.406682D+01 -0.129751D+01 -0.621978D+01 -0.186666D+02  0.371520D+01
      3   0.281294D+01 -0.374425D+01  0.711739D+01 -0.155255D+02  0.541981D+01
      4  -0.225138D+01 -0.885110D+00  0.327549D+01 -0.145248D+02  0.167359D+02
      5   0.311970D+01  0.104066D+00  0.156719D+01 -0.174372D+02  0.767937D+01
      6   0.290532D+01  0.120968D+01 -0.179055D+02  0.256549D+01 -0.316170D+01
                66            67            68            69            70 
      1  -0.903534D+01 -0.134209D+02  0.116566D+01  0.132558D+01 -0.150000D+02
      2   0.936895D+01  0.556235D+01  0.501788D+01 -0.230057D+01  0.103111D+02
      3  -0.333608D+00  0.785858D+01 -0.618354D+01  0.974990D+00  0.468889D+01
      4   0.783777D+01  0.160295D+02 -0.162733D+02 -0.905945D+01  0.590615D+01
      5   0.191592D+02  0.774553D+01 -0.926558D+01 -0.674607D+01  0.218443D+02
      6  -0.178545D+01 -0.405192D+01  0.341264D+01  0.757938D+01 -0.313107D+01
                71            72            73            74            75 
      1  -0.213496D+00  0.244039D+01  0.117679D+01  0.196437D+00  0.727372D-01
      2   0.272041D+00 -0.146632D+02 -0.499204D+01  0.602949D+00  0.638806D-02
      3  -0.585448D-01  0.122228D+02  0.381526D+01 -0.799386D+00 -0.791253D-01
      4  -0.130346D+02 -0.103754D+02 -0.182273D+00  0.169092D+01 -0.314949D+00
      5  -0.856280D+01 -0.297574D+02  0.688532D-02  0.443582D+00  0.629296D+01
      6   0.734390D+01  0.419485D+01 -0.176221D+00  0.313383D+00 -0.251874D+00
                76            77            78            79            80 
      1   0.863258D+00 -0.375957D+01 -0.109592D+01  0.106743D+01 -0.739471D-01
      2   0.246642D+00 -0.618208D+00 -0.280964D+01  0.222703D+00 -0.422786D+01
      3  -0.110990D+01  0.437778D+01  0.390556D+01 -0.129014D+01  0.430181D+01
      4   0.249203D+01 -0.253129D+00  0.568083D+00  0.739292D-01 -0.900152D-01
      5   0.405578D+00 -0.255579D-01 -0.538734D+00  0.543184D+01  0.475928D-01
      6   0.858801D+00  0.542937D+00  0.740480D+01  0.893156D+00  0.468740D+01
                81            82            83            84            85 
      1  -0.193402D+02 -0.272029D+00 -0.361731D+01 -0.255458D+01 -0.530637D+01
      2  -0.194944D+02  0.379888D+01  0.480248D+01  0.221042D+01  0.558695D+01
      3   0.388346D+02 -0.352685D+01 -0.118517D+01  0.344164D+00 -0.280582D+00
      4   0.102582D+01  0.972632D+00  0.400624D+01  0.850591D+00  0.295143D+01
      5   0.350457D+00 -0.156952D+01  0.719236D+00  0.120571D+01  0.117823D+01
      6  -0.100972D+01  0.168165D+01  0.176033D+01  0.712718D+00  0.131142D+01
                86            87            88            89            90 
      1  -0.194609D+02 -0.258234D+01 -0.388350D+01 -0.395357D+01 -0.505923D+01
      2   0.309007D+02  0.548488D+01  0.242989D+01  0.417531D+01  0.288055D+01
      3  -0.114398D+02 -0.290253D+01  0.145361D+01 -0.221739D+00  0.217868D+01
      4  -0.953217D+01 -0.189213D+01  0.485495D+00 -0.222333D+01 -0.157047D+01
      5  -0.218309D+01 -0.326965D+01  0.238208D+01 -0.211594D+01  0.810897D-02
      6   0.821049D+01  0.701220D+01  0.139212D+01  0.883278D+01  0.438617D+01
                91            92            93            94            95 
      1   0.369133D+02  0.143386D+02 -0.229673D+01  0.622169D+01  0.481976D+01
      2  -0.128672D+02 -0.258715D+01  0.424986D-01  0.976420D+00  0.250524D+01
      3  -0.240461D+02 -0.117515D+02  0.225423D+01 -0.719811D+01 -0.732500D+01
      4   0.275050D+02  0.182430D+02 -0.786549D+00  0.130219D+02  0.122043D+02
      5   0.275890D+01  0.162228D+01  0.514962D+01  0.559813D+00  0.830715D+00
      6  -0.102796D+01  0.282748D+00  0.227835D+01  0.376410D+00  0.323845D+00
                96            97            98            99           100 
      1  -0.545970D+00 -0.110926D+02 -0.502141D+01  0.340561D+01  0.172483D+00
      2  -0.287178D+00  0.340988D+01  0.387610D+00 -0.134689D+01  0.113388D+00
      3   0.833148D+00  0.768269D+01  0.463380D+01 -0.205872D+01 -0.285870D+00
      4  -0.531095D+00 -0.978267D+01 -0.687310D+01  0.423222D+01 -0.174287D+01
      5   0.205725D+01  0.542969D+01  0.281817D+01 -0.193179D+01 -0.824932D+00
      6   0.185006D+01  0.335768D+01  0.246976D+01 -0.158394D+01  0.233041D+01
               101           102           103           104           105 
      1   0.379608D+01 -0.197013D+00  0.973018D+00 -0.437681D+01 -0.237116D+01
      2  -0.535683D+01 -0.106747D+01 -0.139558D+01  0.654723D+01  0.332516D+01
      3   0.156075D+01  0.126448D+01  0.422560D+00 -0.217042D+01 -0.954002D+00
      4   0.241437D+01  0.171069D+01  0.275397D+01 -0.131614D+01 -0.530651D+00
      5   0.213898D+00  0.725676D+00  0.456592D+00 -0.484209D+00  0.258554D+00
      6   0.449009D+00 -0.706429D+01 -0.538087D+00  0.314414D+01  0.975997D+01
               106           107           108           109           110 
      1   0.846742D+00 -0.704759D+01 -0.803351D+01  0.586167D+01 -0.227087D+01
      2  -0.121315D+00  0.828900D+01  0.539139D+01  0.390005D+01  0.877761D+01
      3  -0.725427D+00 -0.124141D+01  0.264213D+01 -0.976172D+01 -0.650674D+01
      4   0.418925D+01 -0.703420D+00 -0.368848D+01  0.215144D+02  0.136109D+02
      5   0.127986D+01 -0.642856D+00 -0.404466D+00 -0.417394D+01 -0.759494D+00
      6  -0.461289D+01  0.102036D+02  0.169114D+02 -0.193549D+01 -0.321690D+00
               111           112           113           114           115 
      1  -0.131348D+01  0.110266D+01 -0.129627D+01  0.359035D+00 -0.206076D+01
      2   0.130214D+01  0.344395D+01  0.655841D+01 -0.453629D+00  0.257680D+01
      3   0.113455D-01 -0.454660D+01 -0.526215D+01  0.945941D-01 -0.516047D+00
      4  -0.847701D+00  0.123667D+02  0.750109D+01  0.175833D+01 -0.161057D+01
      5   0.245687D+01 -0.412445D+00  0.565502D-02  0.147400D+01  0.335111D+01
      6   0.301356D+01  0.128728D+01 -0.470744D+00  0.311610D+01  0.792691D+00
               116           117           118           119           120 
      1   0.659667D+00 -0.831486D+00  0.227643D+01  0.206584D+01  0.167768D+01
      2  -0.278589D-01  0.583011D+00 -0.307954D+01 -0.239517D+01 -0.312920D+01
      3  -0.631808D+00  0.248475D+00  0.803113D+00  0.329337D+00  0.145152D+01
      4   0.125870D+01  0.118491D+01  0.353691D+01  0.663475D+01  0.145442D+01
      5   0.529800D+00 -0.814983D+00  0.573373D+01  0.388698D+01  0.743285D+01
      6   0.353145D+01 -0.606368D+00  0.197117D+01  0.515203D+01  0.208480D+01
               121           122           123           124           125 
      1   0.373406D+01 -0.269482D+01 -0.478738D+01  0.860455D+00 -0.274605D+01
      2  -0.414887D+01 -0.664080D+00 -0.660791D+01 -0.215372D+01 -0.344718D+01
      3   0.414807D+00  0.335890D+01  0.113953D+02  0.129326D+01  0.619323D+01
      4   0.648325D+01  0.132967D+02  0.659673D+01  0.726884D+00  0.446595D+01
      5   0.743658D+01  0.104358D+02  0.105379D+02  0.577321D+01  0.540811D+01
      6   0.557570D+01  0.182104D+02  0.100933D+02  0.226867D+01  0.946472D+01
               126           127           128           129           130 
      1  -0.387860D+01 -0.913309D+01 -0.547646D+01  0.129292D+02 -0.391780D+01
      2  -0.400775D+01  0.240053D+00  0.234435D+01  0.263242D+01  0.206176D+01
      3   0.788634D+01  0.889304D+01  0.313211D+01 -0.155616D+02  0.185604D+01
      4   0.393970D+01  0.555040D+01  0.335797D+01 -0.350910D+01  0.423047D+01
      5   0.586432D+01 -0.124545D+02 -0.372642D+01  0.582443D+01 -0.366238D+01
      6   0.647048D+01 -0.712155D+01 -0.581871D+01  0.720563D+01 -0.323813D+01
               131           132           133           134           135 
      1  -0.414721D+01  0.391496D+01  0.901435D+01  0.358064D+01 -0.108647D+02
      2   0.190923D+01 -0.100663D+01  0.152120D+01 -0.700625D+00 -0.431462D+01
      3   0.223798D+01 -0.290833D+01 -0.105356D+02 -0.288002D+01  0.151793D+02
      4   0.162135D+01  0.386709D+00 -0.258387D+01 -0.413128D-01  0.215916D+01
      5   0.190364D+00  0.785728D+00  0.858832D+01  0.156338D+01 -0.485549D+01
      6  -0.385694D+01  0.682665D+01  0.439789D+01  0.618089D+01 -0.589348D+01
               136           137           138           139           140 
      1   0.113470D+02 -0.386006D+01  0.187465D+01 -0.498961D+01 -0.212679D+01
      2  -0.734126D+01  0.115398D+00 -0.566661D+01  0.675219D+00  0.545807D+01
      3  -0.400574D+01  0.374466D+01  0.379196D+01  0.431440D+01 -0.333129D+01
      4  -0.152868D+02  0.142800D+02 -0.854405D+01  0.148040D+02 -0.154065D+02
      5   0.191819D+02 -0.118577D+02  0.164274D+02 -0.129984D+02  0.130494D+02
      6  -0.112439D+02  0.117147D+02 -0.892540D+01  0.107652D+02 -0.147440D+02
               141           142           143           144           145 
      1   0.324112D+01  0.157008D+01  0.224838D+01 -0.212023D+01  0.983444D+00
      2   0.127202D+01 -0.425825D+01  0.924997D+00 -0.436045D+01 -0.254665D+01
      3  -0.451314D+01  0.268817D+01 -0.317338D+01  0.648068D+01  0.156321D+01
      4   0.933857D+01 -0.543480D+01  0.612368D+01 -0.720874D+01 -0.126196D+01
      5  -0.114527D+02  0.120592D+02 -0.781677D+01  0.113487D+02 -0.286863D+01
      6   0.131165D+02 -0.650508D+01  0.994028D+01 -0.940080D+01  0.757582D+00
               146           147           148           149           150 
      1  -0.137958D+01 -0.438733D+01 -0.183284D+01  0.782237D+00 -0.122237D+01
      2   0.472754D+00  0.231832D+01  0.561020D+00 -0.103458D+01  0.485725D+00
      3   0.906821D+00  0.206901D+01  0.127182D+01  0.252339D+00  0.736646D+00
      4   0.284206D+01  0.282303D+00  0.526266D+01 -0.101321D+00 -0.368802D+01
      5   0.167461D+00  0.588417D+01  0.770082D+00 -0.346064D+01 -0.143312D+01
      6   0.362903D-01  0.527991D+00 -0.122908D+01  0.131806D+01  0.628114D+01
               151           152           153           154           155 
      1  -0.800139D+01 -0.105525D+01 -0.128136D+02  0.151076D+02  0.875545D+01
      2   0.845590D+01  0.283799D+00 -0.197098D+02 -0.496513D+01 -0.274362D+01
      3  -0.454514D+00  0.771447D+00  0.325234D+02 -0.101425D+02 -0.601184D+01
      4   0.111839D+01 -0.565715D+01 -0.239949D+01  0.926836D+01  0.155042D+02
      5   0.152459D+02 -0.178548D+01 -0.449650D+02  0.120929D+01  0.325861D+00
      6  -0.192995D+01  0.676117D+01  0.799885D+01 -0.100593D+01 -0.251159D+01
               156           157           158           159           160 
      1   0.287871D+01  0.185037D+02  0.112328D+02  0.422463D+00  0.844654D+01
      2  -0.884498D+00 -0.789359D+01  0.261738D+01  0.129442D+01 -0.363385D+01
      3  -0.199422D+01 -0.106101D+02 -0.138501D+02 -0.171688D+01 -0.481269D+01
      4   0.118910D+01  0.188627D+02  0.295117D+02  0.302085D+01  0.280650D+01
      5   0.332085D+01 -0.185074D+01  0.304730D+01  0.792363D+01  0.375530D+01
      6   0.488149D+00 -0.165622D+01 -0.483162D+01  0.181445D+01  0.107080D+01
               161           162           163           164           165 
      1   0.183996D+01  0.428490D+00  0.424157D+02 -0.176753D+02  0.502493D+01
      2   0.145884D+00 -0.175794D+01 -0.161358D+02  0.461161D+01 -0.138310D+01
      3  -0.198585D+01  0.132945D+01 -0.262799D+02  0.130637D+02 -0.364183D+01
      4   0.640380D+01  0.415942D+01 -0.256914D+02  0.214986D+02 -0.271540D+01
      5   0.469463D+01  0.475247D+00  0.973516D+00 -0.511940D+00  0.719060D+01
      6   0.174147D+01  0.128133D+01  0.165162D+01 -0.249517D+01 -0.140020D+01
               166           167           168           169           170 
      1  -0.252065D+02  0.139830D+02 -0.149253D+01  0.137716D+02 -0.413050D+01
      2   0.676058D+01  0.209154D+01 -0.106317D+01 -0.501584D+01  0.188176D+00
      3   0.184460D+02 -0.160746D+02  0.255571D+01 -0.875575D+01  0.394232D+01
      4   0.269567D+02 -0.228092D+02  0.356315D+01 -0.757045D+01  0.772854D+01
      5   0.609191D+00  0.194259D+01 -0.737075D+01  0.736262D+01 -0.493748D+01
      6  -0.223563D+01  0.145257D+01  0.313364D+01 -0.182700D+01  0.209185D+01
               171 
      1   0.315227D+01
      2  -0.266349D+01
      3  -0.488780D+00
      4  -0.533485D+01
      5   0.205552D+01
      6  -0.940888D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.604592D+00      0.153672D+01      0.512594D+01
   y         -0.648839D+00     -0.164919D+01     -0.550109D+01
   z         -0.552847D-01     -0.140520D+00     -0.468724D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.822684D+02      0.121909D+02      0.135642D+02
   yx         0.708673D+00      0.105015D+00      0.116844D+00
   yy         0.716521D+02      0.106177D+02      0.118138D+02
   zx        -0.279313D+01     -0.413898D+00     -0.460524D+00
   zy         0.252988D+01      0.374890D+00      0.417121D+00
   zz         0.699315D+02      0.103628D+02      0.115301D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.800866D+02      0.118676D+02      0.132045D+02
   aniso      0.128743D+02      0.190778D+01      0.212269D+01
   xx         0.877478D+02      0.130029D+02      0.144677D+02
   yx         0.121199D+00      0.179598D-01      0.199830D-01
   yy         0.772214D+02      0.114430D+02      0.127321D+02
   zx        -0.251648D+01     -0.372904D+00     -0.414912D+00
   zy         0.198713D+01      0.294463D+00      0.327634D+00
   zz         0.752905D+02      0.111569D+02      0.124137D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.86226565          1.26513217          3.58459217
     6          0.45728691          0.54899311          2.15539016
     6          1.13324831         -0.53641276         -0.50075621
     6         -1.23908976         -1.57726423         -1.71160786
     8         -1.95896519         -3.78688209         -0.65227171
     6         -1.37545119          2.77427411          2.01174806
     7          2.31371840          1.19192717         -2.27462878
     8         -2.43033892         -0.56524136         -3.36385055
     1          2.39832729         -2.13975496         -0.17962232
     1         -0.45521485         -0.99158164          3.18819802
     1         -3.52678812         -4.28334591         -1.46217920
     1          0.98993673          2.25459485         -3.15767131
     1          3.57315121          2.34004742         -1.41283401
     1         -0.54095941          4.35578203          0.98180569
     1         -3.13539721          2.26948058          1.06475661
     1         -1.84202862          3.44108070          3.90631371
     1          4.16971419         -0.32612988          3.70913674
     1          3.84871799          2.83518010          2.67392913
     1          2.40937100          1.86981734          5.50335310

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.888583D+00      0.225855D+01      0.753372D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.740583D+02      0.109743D+02      0.122106D+02
   yx         0.426659D+01      0.632243D+00      0.703465D+00
   yy         0.734714D+02      0.108873D+02      0.121138D+02
   zx         0.613267D+01      0.908769D+00      0.101114D+01
   zy         0.112647D+01      0.166925D+00      0.185729D+00
   zz         0.763224D+02      0.113098D+02      0.125839D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.800866D+02      0.118676D+02      0.132045D+02
   aniso      0.128743D+02      0.190778D+01      0.212269D+01
   xx         0.793926D+02      0.117648D+02      0.130901D+02
   yx         0.400564D+01      0.593575D+00      0.660442D+00
   yy         0.785068D+02      0.116335D+02      0.129440D+02
   zx         0.570968D+01      0.846088D+00      0.941399D+00
   zy         0.159069D+01      0.235716D+00      0.262270D+00
   zz         0.823602D+02      0.122045D+02      0.135794D+02

 ----------------------------------------------------------------------
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 Everything starts as somebody's daydream.
                           -- Larry Niven
 Job cpu time:       0 days  4 hours 59 minutes 36.7 seconds.
 Elapsed time:       0 days  0 hours 37 minutes 31.8 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:45:30 2021.
